<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="grrm.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module cmlx:templateRef="final-geometry"/>
         <module cmlx:templateRef="frequencies"/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar cmlx:templateRef="program.name" dataType="xsd:string">GRRM</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">23</scalar>
               </parameter>
               <parameter dictRef="cc:programDate">
                  <scalar dataType="xsd:string">January 23, 2023</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:jobtype">
                  <scalar dataType="xsd:string">Saddle</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">wB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">def2svpp</scalar>
               </parameter>
               <parameter dictRef="cc:charge">
                  <scalar dataType="xsd:integer">-1</scalar>
               </parameter>
               <parameter dictRef="cc:multiplicity">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55210741" y3="-1.46641303" z3="1.54384985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55389217" y3="-1.93015785" z3="1.59892718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85701347" y3="-2.21822395" z3="1.12667908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.61430532" y3="-0.62899764" z3="0.82295244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10469793" y3="-0.98210358" z3="2.92103392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08352301" y3="-0.55794067" z3="2.84809192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.05190139" y3="-1.83477008" z3="3.61832704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04259033" y3="0.0610607" z3="3.52881155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05284853" y3="-0.37858405" z3="3.60723068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11626152" y3="0.9295765" z3="2.84386918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61665402" y3="0.53884616" z3="4.91234743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20958781" y3="1.42247799" z3="5.22887421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56301534" y3="0.87907247" z3="4.89674292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80249243" y3="-0.50421199" z3="6.01976422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.39364611" y3="-1.10460285" z3="8.43097894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.30209737" y3="-1.73008393" z3="8.37305091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.40568856" y3="-0.60629154" z3="9.42333053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18848785" y3="-2.06261983" z3="8.37287723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23413308" y3="-2.60575899" z3="7.41024549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.28829309" y3="-2.82437562" z3="9.17325051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16298942" y3="-1.36118347" z3="8.49603062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23434841" y3="-0.8696116" z3="9.48811591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1994852" y3="-0.55039001" z3="7.74733028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.3808775" y3="-2.26715804" z3="8.29307945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.29785922" y3="-1.64746186" z3="8.30902388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.32915227" y3="-2.71315579" z3="7.28162625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.51916582" y3="-3.38317529" z3="9.32815172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.53931019" y3="-2.96894173" z3="10.35343747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.67428835" y3="-4.09109126" z3="9.27395935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.44959291" y3="-3.96053784" z3="9.17845886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.34038401" y3="-1.59588784" z3="5.75642603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.46024907" y3="-0.07037463" z3="7.33477416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75523021" y3="0.76801989" z3="7.39667989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.11682825" y3="2.03496628" z3="6.94067998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.32718355" y3="2.78288809" z3="6.76572993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.04492835" y3="2.544105" z3="7.26359325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.31833163" y3="1.5366313" z3="5.97451013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.64080302" y3="1.0167489" z3="7.97621848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.53426837" y3="1.515127" z3="8.96069618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.41763206" y3="0.23801244" z3="8.11226239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.30902072" y3="0.34210392" z3="7.60687536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.35856132" y3="-0.04027351" z3="6.57101422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.14622324" y3="-0.53174773" z3="8.25997958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12162665" y3="1.29516955" z3="7.74543185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.04062916" y3="2.31875661" z3="7.04130073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.73590176" y3="1.33301959" z3="8.80126704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5521,-1.4664,1.5438;-3.5539,-1.9302,1.5989;-1.857,-2.2182,1.1267;-2.6143,-.629,.823;-2.1047,-.9821,2.921;-1.0835,-.5579,2.8481;-2.0519,-1.8348,3.6183;-3.0426,.0611,3.5288;-4.0528,-.3786,3.6072;-3.1163,.9296,2.8439;-2.6167,.5388,4.9123;-3.2096,1.4225,5.2289;-1.563,.8791,4.8967;-2.8025,-.5042,6.0198;-2.3936,-1.1046,8.431;-3.3021,-1.7301,8.3731;-2.4057,-.6063,9.4233;-1.1885,-2.0626,8.3729;-1.2341,-2.6058,7.4102;-1.2883,-2.8244,9.1733;.163,-1.3612,8.496;.2343,-.8696,9.4881;.1995,-.5504,7.7473;1.3809,-2.2672,8.2931;2.2979,-1.6475,8.309;1.3292,-2.7132,7.2816;1.5192,-3.3832,9.3282;1.5393,-2.9689,10.3534;.6743,-4.0911,9.274;2.4496,-3.9605,9.1785;-3.3404,-1.5959,5.7564;-2.4602,-.0704,7.3348;-1.7552,.768,7.3967;-7.1168,2.035,6.9407;-6.3272,2.7829,6.7657;-8.0449,2.5441,7.2636;-7.3183,1.5366,5.9745;-6.6408,1.0167,7.9762;-6.5343,1.5151,8.9607;-7.4176,.238,8.1123;-5.309,.3421,7.6069;-5.3586,-.0403,6.571;-5.1462,-.5317,8.26;-4.1216,1.2952,7.7454;-4.0406,2.3188,7.0413;-3.7359,1.333,8.8013;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724023120781</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009610169773 0.000976598156 0.029951731439 0.008512656898</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.010114247 0.000036651 0.000076497 0.000107337 0.000134070 0.000320146 0.000444436 0.000636543 0.000857264 0.001229116 0.001348630 0.002539321 0.002907824 0.003237465 0.003790759 0.004039659 0.005125789 0.005513347 0.005556506 0.006627107 0.008100911 0.009370124 0.011344935 0.014318881 0.016295927 0.018610310 0.020752209 0.024012899 0.027208501 0.029447328 0.030193110 0.032619864 0.032965145 0.034179463 0.035590949 0.039503020 0.042639847 0.046453014 0.047319501 0.048405639 0.050105792 0.050603073 0.052106484 0.052597243 0.053213402 0.055194959 0.057239965 0.058929721 0.060283022 0.065204870 0.066264720 0.070265729 0.071702287 0.075128038 0.076185262 0.077068773 0.077590586 0.081432821 0.082159223 0.087719882 0.091281711 0.093352139 0.098418557 0.100086320 0.110298515 0.112813337 0.113294000 0.113770910 0.119162583 0.127707493 0.135455883 0.136383229 0.139572077 0.140238348 0.147143692 0.153376216 0.154131057 0.160206722 0.170221214 0.174995209 0.178492203 0.184467716 0.193866230 0.202789850 0.211710444 0.214529243 0.218237202 0.238733183 0.249328269 0.260825776 0.296437394 0.309808191 0.339840796 0.377240522 0.406773801 0.459608417 0.498420746 0.522286263 0.565079444 0.597265539 0.616575774 0.633367613 0.674157085 0.728122819 0.740172815 0.752644238 0.757083240 0.773091983 0.776230066 0.781247747 0.781794449 0.785021942 0.789345053 0.800983133 0.810820224 0.819265269 0.820846615 0.825676121 0.844130103 0.850109068 0.853174818 0.867843701 0.892527291 0.895205908 0.899675507 0.908466976 0.913510259 0.917874550 0.920220990 0.968362762 1.339912312 1.455798736</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55166545" y3="-1.4677581" z3="1.54422701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5537577" y3="-1.9308665" z3="1.59915552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85683886" y3="-2.22005497" z3="1.12743371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.61324172" y3="-0.63054793" z3="0.82296957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.1047724" y3="-0.9827162" z3="2.9213844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08311011" y3="-0.55959932" z3="2.84877145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.05372902" y3="-1.83455232" z3="3.61990488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04277599" y3="0.06158772" z3="3.52677825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05214401" y3="-0.37941155" z3="3.60746273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11712602" y3="0.92818193" z3="2.83931938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61734754" y3="0.5428588" z3="4.90946401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2106852" y3="1.4281073" z3="5.21774232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56344546" y3="0.88215091" z3="4.89252825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80507611" y3="-0.50086703" z3="6.01919014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.38415101" y3="-1.10997126" z3="8.4262139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.29444476" y3="-1.73285376" z3="8.36447762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39887575" y3="-0.61069724" z3="9.41844594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18098351" y3="-2.07223155" z3="8.37805302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.22446538" y3="-2.62172593" z3="7.41880761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.28377971" y3="-2.8285604" z3="9.18338259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17037307" y3="-1.37034489" z3="8.49950253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24209748" y3="-0.87786192" z3="9.49117853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2038889" y3="-0.56047878" z3="7.74976271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38955777" y3="-2.2742257" z3="8.29608015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3056822" y3="-1.65315621" z3="8.31274355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.33886262" y3="-2.71949501" z3="7.28424365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.52827385" y3="-3.39054742" z3="9.33062694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.54716478" y3="-2.97645459" z3="10.35600983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.68343812" y3="-4.09843011" z3="9.27535788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.45905424" y3="-3.96758341" z3="9.18170788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.36143288" y3="-1.5854048" z3="5.75392779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4390926" y3="-0.08075929" z3="7.32658467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74592768" y3="0.76683926" z3="7.39210547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.13435796" y3="2.03526153" z3="6.93894659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.35089654" y3="2.79034038" z3="6.76642511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.06647722" y3="2.5376324" z3="7.26076892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.33039622" y3="1.53758842" z3="5.97141612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.65363754" y3="1.01834873" z3="7.97367848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.55974443" y3="1.51375386" z3="8.96100477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42241531" y3="0.2304136" z3="8.10128067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31235011" y3="0.35839268" z3="7.6093745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.352535" y3="-0.02508626" z3="6.57367132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.14012934" y3="-0.51320818" z3="8.26271215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14016916" y3="1.32512128" z3="7.7539381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.05341825" y3="2.34235431" z3="7.05045845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.72696589" y3="1.34697374" z3="8.79866917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5517,-1.4678,1.5442;-3.5538,-1.9309,1.5992;-1.8568,-2.2201,1.1274;-2.6132,-.6305,.823;-2.1048,-.9827,2.9214;-1.0831,-.5596,2.8488;-2.0537,-1.8346,3.6199;-3.0428,.0616,3.5268;-4.0521,-.3794,3.6075;-3.1171,.9282,2.8393;-2.6173,.5429,4.9095;-3.2107,1.4281,5.2177;-1.5634,.8822,4.8925;-2.8051,-.5009,6.0192;-2.3842,-1.11,8.4262;-3.2944,-1.7329,8.3645;-2.3989,-.6107,9.4184;-1.181,-2.0722,8.3781;-1.2245,-2.6217,7.4188;-1.2838,-2.8286,9.1834;.1704,-1.3703,8.4995;.2421,-.8779,9.4912;.2039,-.5605,7.7498;1.3896,-2.2742,8.2961;2.3057,-1.6532,8.3127;1.3389,-2.7195,7.2842;1.5283,-3.3905,9.3306;1.5472,-2.9765,10.356;.6834,-4.0984,9.2754;2.4591,-3.9676,9.1817;-3.3614,-1.5854,5.7539;-2.4391,-.0808,7.3266;-1.7459,.7668,7.3921;-7.1344,2.0353,6.9389;-6.3509,2.7903,6.7664;-8.0665,2.5376,7.2608;-7.3304,1.5376,5.9714;-6.6536,1.0183,7.9737;-6.5597,1.5138,8.961;-7.4224,.2304,8.1013;-5.3124,.3584,7.6094;-5.3525,-.0251,6.5737;-5.1401,-.5132,8.2627;-4.1402,1.3251,7.7539;-4.0534,2.3424,7.0505;-3.727,1.347,8.7987;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723483382026</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006798215044 0.000716467522 0.028754854371 0.008512675804</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.008023542 0.000037411 0.000074139 0.000107484 0.000133585 0.000318768 0.000444479 0.000636703 0.000838642 0.001201503 0.001348621 0.002542951 0.002907418 0.003230896 0.003791266 0.003998939 0.005112182 0.005489457 0.005558298 0.006618205 0.007990102 0.009096805 0.011272790 0.014315085 0.016093609 0.018516346 0.020754877 0.023992785 0.027196872 0.029437150 0.030188268 0.032618256 0.032959416 0.034175329 0.035581433 0.039502736 0.042624397 0.046452997 0.047317224 0.048397766 0.050101935 0.050599537 0.052108285 0.052595894 0.053219113 0.055183806 0.057231917 0.058932432 0.060285086 0.065181470 0.066264850 0.070256995 0.071679061 0.075124560 0.076184583 0.077066280 0.077577680 0.081433370 0.082159095 0.087696880 0.091270397 0.093350190 0.098419421 0.100084251 0.110298923 0.112813331 0.113294479 0.113770788 0.119162700 0.127706647 0.135456341 0.136385090 0.139570888 0.140238377 0.147142573 0.153375397 0.154130153 0.160206481 0.170221134 0.175000869 0.178497120 0.184467687 0.193865843 0.202789843 0.211710351 0.214528210 0.218244741 0.238746561 0.249332659 0.260834628 0.296437362 0.309807891 0.339840810 0.377241073 0.406774328 0.459608750 0.498420541 0.522287922 0.565081479 0.597267692 0.616610306 0.633368082 0.674170316 0.728192845 0.740172801 0.752644414 0.757083443 0.773092552 0.776242098 0.781247840 0.781796022 0.785021959 0.789345147 0.800983796 0.810823235 0.819269706 0.820848527 0.825676668 0.844130325 0.850109008 0.853175114 0.867843629 0.892527298 0.895205964 0.899675583 0.908467830 0.913510530 0.917874502 0.920221156 0.968365872 1.340462809 1.455825131</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55112836" y3="-1.46917889" z3="1.54536905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55352377" y3="-1.93171558" z3="1.59977973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85631193" y3="-2.22225202" z3="1.12985475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.6116499" y3="-0.63272153" z3="0.82308571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10554177" y3="-0.98255079" z3="2.92252459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08330487" y3="-0.560658" z3="2.85050129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.05648561" y3="-1.83342676" z3="3.62244627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04400017" y3="0.06329166" z3="3.52470303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05269016" y3="-0.3788204" z3="3.60644745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11815702" y3="0.92777394" z3="2.83441414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62043637" y3="0.54791478" z3="4.90707708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21529963" y3="1.43378928" z3="5.20999855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.5666765" y3="0.88752649" z3="4.88990638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80882108" y3="-0.49731006" z3="6.01803105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.37488467" y3="-1.11524658" z3="8.42105001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28677694" y3="-1.73582307" z3="8.3551283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.39360394" y3="-0.61469654" z3="9.41299902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17331118" y3="-2.08055885" z3="8.38258362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.21473264" y3="-2.63540618" z3="7.42629423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27945286" y3="-2.83169451" z3="9.19230615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17846156" y3="-1.37913508" z3="8.50302952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.25047662" y3="-0.88572356" z3="9.49426554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.21117826" y3="-0.57015297" z3="7.75228832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.39825165" y3="-2.28224946" z3="8.29991024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31385927" y3="-1.66036668" z3="8.31732914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.34871275" y3="-2.72705795" z3="7.28779169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.5376066" y3="-3.39897268" z3="9.33389475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55593223" y3="-2.98539217" z3="10.35950266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.69320177" y3="-4.10734062" z3="9.27795157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.46892348" y3="-3.97523833" z3="9.18501486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.38467859" y3="-1.57376833" z3="5.75189379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41783718" y3="-0.09145507" z3="7.31780892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73500359" y3="0.76382343" z3="7.38685285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.15145962" y3="2.0350609" z3="6.93668494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.37605989" y3="2.79926444" z3="6.76725076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.08903245" y3="2.52780591" z3="7.25748179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34049102" y3="1.53805382" z3="5.96752055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.66487193" y3="1.02013107" z3="7.97059548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.58314442" y3="1.5127914" z3="8.96034003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42496604" y3="0.22298396" z3="8.09025496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31489828" y3="0.37439555" z3="7.61188235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.34581649" y3="-0.01126374" z3="6.57682554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.13455598" y3="-0.49448114" z3="8.26634985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15716956" y3="1.35387614" z3="7.76102466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.0648377" y3="2.36433427" z3="7.05558066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.71896087" y3="1.3622967" z3="8.79406244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5511,-1.4692,1.5454;-3.5535,-1.9317,1.5998;-1.8563,-2.2223,1.1299;-2.6116,-.6327,.8231;-2.1055,-.9826,2.9225;-1.0833,-.5607,2.8505;-2.0565,-1.8334,3.6224;-3.044,.0633,3.5247;-4.0527,-.3788,3.6064;-3.1182,.9278,2.8344;-2.6204,.5479,4.9071;-3.2153,1.4338,5.21;-1.5667,.8875,4.8899;-2.8088,-.4973,6.018;-2.3749,-1.1152,8.4211;-3.2868,-1.7358,8.3551;-2.3936,-.6147,9.413;-1.1733,-2.0806,8.3826;-1.2147,-2.6354,7.4263;-1.2795,-2.8317,9.1923;.1785,-1.3791,8.503;.2505,-.8857,9.4943;.2112,-.5702,7.7523;1.3983,-2.2822,8.2999;2.3139,-1.6604,8.3173;1.3487,-2.7271,7.2878;1.5376,-3.399,9.3339;1.5559,-2.9854,10.3595;.6932,-4.1073,9.278;2.4689,-3.9752,9.185;-3.3847,-1.5738,5.7519;-2.4178,-.0915,7.3178;-1.735,.7638,7.3869;-7.1515,2.0351,6.9367;-6.3761,2.7993,6.7673;-8.089,2.5278,7.2575;-7.3405,1.5381,5.9675;-6.6649,1.0201,7.9706;-6.5831,1.5128,8.9603;-7.425,.223,8.0903;-5.3149,.3744,7.6119;-5.3458,-.0113,6.5768;-5.1346,-.4945,8.2663;-4.1572,1.3539,7.761;-4.0648,2.3643,7.0556;-3.719,1.3623,8.7941;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723124881747</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004634872939 0.000507790891 0.027361083111 0.008512357592</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.006413635 0.000037162 0.000066622 0.000107591 0.000132619 0.000317442 0.000443692 0.000636458 0.000802202 0.001166672 0.001348351 0.002543658 0.002906184 0.003222805 0.003791194 0.003959131 0.005108877 0.005465744 0.005555211 0.006598099 0.007806150 0.008911284 0.011221610 0.014311625 0.015995600 0.018485591 0.020755600 0.023983609 0.027193381 0.029427432 0.030183095 0.032617461 0.032956789 0.034174317 0.035578089 0.039502576 0.042617505 0.046452968 0.047315758 0.048394816 0.050100729 0.050598163 0.052109780 0.052595374 0.053218103 0.055182072 0.057228943 0.058932734 0.060285922 0.065174596 0.066264846 0.070254635 0.071672568 0.075122320 0.076184399 0.077065898 0.077574440 0.081433535 0.082159531 0.087691091 0.091268953 0.093349869 0.098419616 0.100083857 0.110299315 0.112813415 0.113294489 0.113770748 0.119162739 0.127706651 0.135456304 0.136385989 0.139570870 0.140238472 0.147142897 0.153375860 0.154130766 0.160206325 0.170221052 0.175000875 0.178498949 0.184468081 0.193865940 0.202789955 0.211710376 0.214530806 0.218247573 0.238764791 0.249332749 0.260841683 0.296437723 0.309809244 0.339843438 0.377248871 0.406774763 0.459608871 0.498421993 0.522289959 0.565083691 0.597269351 0.616622667 0.633368257 0.674179041 0.728232037 0.740172790 0.752644488 0.757083621 0.773092883 0.776243740 0.781248083 0.781799707 0.785022188 0.789345543 0.800983677 0.810823666 0.819270204 0.820848948 0.825676778 0.844130772 0.850109117 0.853175510 0.867843634 0.892527520 0.895205762 0.899677753 0.908468508 0.913510818 0.917874449 0.920221183 0.968388266 1.340793083 1.455902266</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55031947" y3="-1.47100682" z3="1.54716234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55311772" y3="-1.93279617" z3="1.60066061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85529551" y3="-2.2252336" z3="1.13401322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.60912662" y3="-0.63577986" z3="0.82325924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10692807" y3="-0.98204384" z3="2.92429185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08402777" y3="-0.56153065" z3="2.85341987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.06044127" y3="-1.83161344" z3="3.62606962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04591526" y3="0.0657924" z3="3.52213341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05437472" y3="-0.37661413" z3="3.60402613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11875402" y3="0.92825711" z3="2.82904156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62506882" y3="0.55360884" z3="4.90439062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22226149" y3="1.43952491" z3="5.20137428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.57186095" y3="0.89472318" z3="4.88784286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81387233" y3="-0.49276832" z3="6.01652254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36570865" y3="-1.11945853" z3="8.41520518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27893853" y3="-1.73793242" z3="8.34473674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38900813" y3="-0.61748075" z3="9.40672067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16571941" y3="-2.0874231" z3="8.3858359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.20528578" y3="-2.64579979" z3="7.43153574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27560648" y3="-2.83458081" z3="9.19866459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1868778" y3="-1.38743916" z3="8.50662207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.25889233" y3="-0.8932685" z3="9.49751449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.22044685" y3="-0.57918282" z3="7.75506283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.40654411" y3="-2.29098878" z3="8.30436499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32211705" y3="-1.6690323" z3="8.32232645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.3577615" y3="-2.73559684" z3="7.29210467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.54634013" y3="-3.40812172" z3="9.3378647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.56470882" y3="-2.99522193" z3="10.36375147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.70243431" y3="-4.11709383" z3="9.28162199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.47811314" y3="-3.98361999" z3="9.1884973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.41008584" y3="-1.56037322" z3="5.7507943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.397057" y3="-0.10101959" z3="7.30833838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72265396" y3="0.76031648" z3="7.38013134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.16742166" y3="2.03368392" z3="6.93387947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.40165566" y3="2.8087251" z3="6.76917265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.11205063" y3="2.51430626" z3="7.25240147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34660553" y3="1.53732156" z3="5.96257039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67470157" y3="1.02152559" z3="7.96749211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.60430955" y3="1.51217114" z3="8.95905333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42613424" y3="0.21566297" z3="8.08027735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31659492" y3="0.38938966" z3="7.61514758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.33769806" y3="-0.00001533" z3="6.5812681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.1290065" y3="-0.47600656" z3="8.27195991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17267281" y3="1.38123722" z3="7.76799516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.07670916" y3="2.38600667" z3="7.06104605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.71121677" y3="1.377246" z3="8.7897227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5503,-1.471,1.5472;-3.5531,-1.9328,1.6007;-1.8553,-2.2252,1.134;-2.6091,-.6358,.8233;-2.1069,-.982,2.9243;-1.084,-.5615,2.8534;-2.0604,-1.8316,3.6261;-3.0459,.0658,3.5221;-4.0544,-.3766,3.604;-3.1188,.9283,2.829;-2.6251,.5536,4.9044;-3.2223,1.4395,5.2014;-1.5719,.8947,4.8878;-2.8139,-.4928,6.0165;-2.3657,-1.1195,8.4152;-3.2789,-1.7379,8.3447;-2.389,-.6175,9.4067;-1.1657,-2.0874,8.3858;-1.2053,-2.6458,7.4315;-1.2756,-2.8346,9.1987;.1869,-1.3874,8.5066;.2589,-.8933,9.4975;.2204,-.5792,7.7551;1.4065,-2.291,8.3044;2.3221,-1.669,8.3223;1.3578,-2.7356,7.2921;1.5463,-3.4081,9.3379;1.5647,-2.9952,10.3638;.7024,-4.1171,9.2816;2.4781,-3.9836,9.1885;-3.4101,-1.5604,5.7508;-2.3971,-.101,7.3083;-1.7227,.7603,7.3801;-7.1674,2.0337,6.9339;-6.4017,2.8087,6.7692;-8.1121,2.5143,7.2524;-7.3466,1.5373,5.9626;-6.6747,1.0215,7.9675;-6.6043,1.5122,8.9591;-7.4261,.2157,8.0803;-5.3166,.3894,7.6151;-5.3377,0,6.5813;-5.129,-.476,8.272;-4.1727,1.3812,7.768;-4.0767,2.386,7.061;-3.7112,1.3772,8.7897;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722912106479</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002936098979 0.000367820554 0.024828174759 0.008512707282</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.005298722 0.000036962 0.000052138 0.000107651 0.000131364 0.000313920 0.000441754 0.000636317 0.000727117 0.001129688 0.001348164 0.002544150 0.002904143 0.003212263 0.003791273 0.003922959 0.005124534 0.005463029 0.005551978 0.006585540 0.007613974 0.008814127 0.011191533 0.014310260 0.015955966 0.018479091 0.020756167 0.023979901 0.027192324 0.029418714 0.030178569 0.032617072 0.032955569 0.034174073 0.035577152 0.039502431 0.042613713 0.046452957 0.047314653 0.048393661 0.050100286 0.050597657 0.052110737 0.052595012 0.053217655 0.055181668 0.057227909 0.058932917 0.060285689 0.065171458 0.066264831 0.070253681 0.071669454 0.075120485 0.076184312 0.077065846 0.077572915 0.081433561 0.082159371 0.087689139 0.091267537 0.093349673 0.098419577 0.100083731 0.110299438 0.112813475 0.113294478 0.113770692 0.119162752 0.127706457 0.135456239 0.136385850 0.139570600 0.140238506 0.147142924 0.153376165 0.154131416 0.160206627 0.170221074 0.175000351 0.178499361 0.184468260 0.193866123 0.202789653 0.211710962 0.214533618 0.218249861 0.238776583 0.249332007 0.260846205 0.296437821 0.309811164 0.339846188 0.377255785 0.406776563 0.459609925 0.498421620 0.522290944 0.565085188 0.597269963 0.616623018 0.633368217 0.674185652 0.728249274 0.740172924 0.752644474 0.757083748 0.773092860 0.776243540 0.781248403 0.781802636 0.785022424 0.789345730 0.800984114 0.810824667 0.819269915 0.820848893 0.825676964 0.844131579 0.850108964 0.853175992 0.867843992 0.892527589 0.895205597 0.899679676 0.908468959 0.913510619 0.917874605 0.920221168 0.968420523 1.340985036 1.455954362</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54882801" y3="-1.47384988" z3="1.54987171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55228616" y3="-1.93441517" z3="1.60175259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85340431" y3="-2.22994866" z3="1.14076956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.60469204" y3="-0.64056295" z3="0.82344979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10905207" y3="-0.98146171" z3="2.92699539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08533777" y3="-0.56258388" z3="2.85817657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.06612424" y3="-1.82914337" z3="3.63136468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.04885867" y3="0.06908362" z3="3.51860479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.05756263" y3="-0.37278278" z3="3.5995956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11909798" y3="0.92928179" z3="2.82228218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63216214" y3="0.56094731" z3="4.9007958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23367949" y3="1.44568212" z3="5.1912926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58028102" y3="0.9059379" z3="4.88547425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81983295" y3="-0.48606765" z3="6.01429759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35650011" y3="-1.12130121" z3="8.40820673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27104078" y3="-1.73755076" z3="8.333551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38364926" y3="-0.6181865" z3="9.39934757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1585175" y3="-2.09213066" z3="8.38627158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.19617468" y3="-2.65170348" z3="7.43261334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27308256" y3="-2.83725382" z3="9.20026121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19547853" y3="-1.39514612" z3="8.50987943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26681825" y3="-0.90111304" z3="9.50091357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23199944" y3="-0.58700015" z3="7.75824812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41408093" y3="-2.30064879" z3="8.30923811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33034778" y3="-1.67971014" z3="8.32760001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36561803" y3="-2.74544298" z3="7.29703519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.55321324" y3="-3.41800908" z3="9.34265741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5723158" y3="-3.00557688" z3="10.3687212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.7092429" y3="-4.12694529" z3="9.28655224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.48487757" y3="-3.99362797" z3="9.19272106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43491401" y3="-1.54506469" z3="5.75052426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37809289" y3="-0.10731597" z3="7.29832539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70940829" y3="0.7580718" z3="7.37151311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.18104112" y3="2.0301724" z3="6.93032374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.42637525" y3="2.81769183" z3="6.77274722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.13483564" y3="2.49606269" z3="7.24375019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34610653" y3="1.53408029" z3="5.95632707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.68262696" y3="1.02205976" z3="7.9650221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.62317357" y3="1.51202712" z3="8.95762308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.4257595" y3="0.20812408" z3="8.07216287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31684306" y3="0.40262085" z3="7.62017085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.32806643" y3="0.0082991" z3="6.58792498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.12315574" y3="-0.45874829" z3="8.28033763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.18519128" y3="1.40565569" z3="7.77594239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.0890526" y3="2.40754243" z3="7.06951833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.70315404" y3="1.39040728" z3="8.78713418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5488,-1.4738,1.5499;-3.5523,-1.9344,1.6018;-1.8534,-2.2299,1.1408;-2.6047,-.6406,.8234;-2.1091,-.9815,2.927;-1.0853,-.5626,2.8582;-2.0661,-1.8291,3.6314;-3.0489,.0691,3.5186;-4.0576,-.3728,3.5996;-3.1191,.9293,2.8223;-2.6322,.5609,4.9008;-3.2337,1.4457,5.1913;-1.5803,.9059,4.8855;-2.8198,-.4861,6.0143;-2.3565,-1.1213,8.4082;-3.271,-1.7376,8.3336;-2.3836,-.6182,9.3993;-1.1585,-2.0921,8.3863;-1.1962,-2.6517,7.4326;-1.2731,-2.8373,9.2003;.1955,-1.3951,8.5099;.2668,-.9011,9.5009;.232,-.587,7.7582;1.4141,-2.3006,8.3092;2.3303,-1.6797,8.3276;1.3656,-2.7454,7.297;1.5532,-3.418,9.3427;1.5723,-3.0056,10.3687;.7092,-4.1269,9.2866;2.4849,-3.9936,9.1927;-3.4349,-1.5451,5.7505;-2.3781,-.1073,7.2983;-1.7094,.7581,7.3715;-7.181,2.0302,6.9303;-6.4264,2.8177,6.7727;-8.1348,2.4961,7.2438;-7.3461,1.5341,5.9563;-6.6826,1.0221,7.965;-6.6232,1.512,8.9576;-7.4258,.2081,8.0722;-5.3168,.4026,7.6202;-5.3281,.0083,6.5879;-5.1232,-.4587,8.2803;-4.1852,1.4057,7.7759;-4.0891,2.4075,7.0695;-3.7032,1.3904,8.7871;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722820501185</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001876018553 0.000266544314 0.026221990585 0.008512893534</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003939265 -0.000049217 0.000038908 0.000107669 0.000127751 0.000300091 0.000430936 0.000567906 0.000637942 0.001091086 0.001347957 0.002547267 0.002899495 0.003195626 0.003790687 0.003888169 0.005121678 0.005436899 0.005553709 0.006554989 0.007484259 0.008780315 0.011173085 0.014309216 0.015939998 0.018474768 0.020757195 0.023978326 0.027191823 0.029413094 0.030175567 0.032616923 0.032955308 0.034173972 0.035576940 0.039502329 0.042612425 0.046452962 0.047314267 0.048393460 0.050100091 0.050597459 0.052110558 0.052594802 0.053217859 0.055181757 0.057228006 0.058932677 0.060285356 0.065170352 0.066264826 0.070253314 0.071668646 0.075120331 0.076184240 0.077065806 0.077572663 0.081433455 0.082159165 0.087690222 0.091266665 0.093349553 0.098419487 0.100083719 0.110300205 0.112813551 0.113294558 0.113770590 0.119162737 0.127706286 0.135456151 0.136385824 0.139570151 0.140238483 0.147143453 0.153376505 0.154132328 0.160207144 0.170221660 0.175000734 0.178500705 0.184468315 0.193866361 0.202790628 0.211712707 0.214535287 0.218253629 0.238789003 0.249353705 0.260855285 0.296438783 0.309810695 0.339847917 0.377270527 0.406779387 0.459612722 0.498427600 0.522294581 0.565088783 0.597270839 0.616621529 0.633368176 0.674194423 0.728277133 0.740173035 0.752644534 0.757083752 0.773092846 0.776243282 0.781249719 0.781820166 0.785022956 0.789345790 0.800986064 0.810827389 0.819269548 0.820848692 0.825677210 0.844134361 0.850108937 0.853176478 0.867846349 0.892527884 0.895205371 0.899684454 0.908475206 0.913511882 0.917875401 0.920221073 0.968514394 1.341150070 1.456002683</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54673785" y3="-1.4768585" z3="1.55357233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55100547" y3="-1.93593167" z3="1.60324201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85074085" y3="-2.23532738" z3="1.14978798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59875177" y3="-0.64609524" z3="0.82393328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11171794" y3="-0.98015427" z3="2.93071375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08707168" y3="-0.56312682" z3="2.86461971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.07308994" y3="-1.82554591" z3="3.63816011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.052687" y3="0.07351284" z3="3.51478324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06176284" y3="-0.36766328" z3="3.59421825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11967961" y3="0.93119668" z3="2.8149224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64117574" y3="0.56975867" z3="4.8970329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24909608" y3="1.45156882" z3="5.18270635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59135452" y3="0.9208552" z3="4.8832112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82642156" y3="-0.47833635" z3="6.01127503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34731269" y3="-1.12228606" z3="8.40016318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26344503" y3="-1.73582703" z3="8.32198298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37716568" y3="-0.61800781" z3="9.39090496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15176469" y3="-2.09637833" z3="8.38491045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18713875" y3="-2.65640802" z3="7.43137283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27123869" y3="-2.8403479" z3="9.19930194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20347421" y3="-1.40241808" z3="8.51243706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27347579" y3="-0.90894253" z3="9.50387797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24324726" y3="-0.59407028" z3="7.76109305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.42085696" y3="-2.31008319" z3="8.31394114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33809963" y3="-1.69058506" z3="8.33299795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37283348" y3="-2.75521697" z3="7.30185912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.5577924" y3="-3.4274012" z3="9.34773735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.57757557" y3="-3.0148859" z3="10.3737604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71281143" y3="-4.13516393" z3="9.29172661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.48865105" y3="-4.00441263" z3="9.19794511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.461136" y3="-1.52816475" z3="5.75021882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36014833" y3="-0.11216653" z3="7.287528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69454692" y3="0.75547731" z3="7.36102765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.19161747" y3="2.02455039" z3="6.9257143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.44788301" y3="2.82362465" z3="6.77525704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.15436478" y3="2.47627408" z3="7.23203067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34135656" y3="1.52790407" z3="5.94962072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.68878592" y3="1.0217745" z3="7.9633361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.64023635" y3="1.5124591" z3="8.95618454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.4241846" y3="0.20055982" z3="8.0660362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.315662" y3="0.41393317" z3="7.62727311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.31703102" y3="0.01263077" z3="6.59749039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11618436" y3="-0.442165" z3="8.2925016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.19534655" y3="1.42761901" z3="7.7836665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1017026" y3="2.42723713" z3="7.07752837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.69324174" y3="1.40349065" z3="8.78428362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5467,-1.4769,1.5536;-3.551,-1.9359,1.6032;-1.8507,-2.2353,1.1498;-2.5988,-.6461,.8239;-2.1117,-.9802,2.9307;-1.0871,-.5631,2.8646;-2.0731,-1.8255,3.6382;-3.0527,.0735,3.5148;-4.0618,-.3677,3.5942;-3.1197,.9312,2.8149;-2.6412,.5698,4.897;-3.2491,1.4516,5.1827;-1.5914,.9209,4.8832;-2.8264,-.4783,6.0113;-2.3473,-1.1223,8.4002;-3.2634,-1.7358,8.322;-2.3772,-.618,9.3909;-1.1518,-2.0964,8.3849;-1.1871,-2.6564,7.4314;-1.2712,-2.8403,9.1993;.2035,-1.4024,8.5124;.2735,-.9089,9.5039;.2432,-.5941,7.7611;1.4209,-2.3101,8.3139;2.3381,-1.6906,8.333;1.3728,-2.7552,7.3019;1.5578,-3.4274,9.3477;1.5776,-3.0149,10.3738;.7128,-4.1352,9.2917;2.4887,-4.0044,9.1979;-3.4611,-1.5282,5.7502;-2.3601,-.1122,7.2875;-1.6945,.7555,7.361;-7.1916,2.0246,6.9257;-6.4479,2.8236,6.7753;-8.1544,2.4763,7.232;-7.3414,1.5279,5.9496;-6.6888,1.0218,7.9633;-6.6402,1.5125,8.9562;-7.4242,.2006,8.066;-5.3157,.4139,7.6273;-5.317,.0126,6.5975;-5.1162,-.4422,8.2925;-4.1953,1.4276,7.7837;-4.1017,2.4272,7.0775;-3.6932,1.4035,8.7843;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722793517245</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001518659303 0.000262082815 0.026126498990 0.008511853116</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.002555619 -0.000374026 0.000038978 0.000107814 0.000125054 0.000266288 0.000394342 0.000488212 0.000637423 0.001068303 0.001348625 0.002547035 0.002896181 0.003186393 0.003787775 0.003852672 0.005116247 0.005424723 0.005554146 0.006537500 0.007419846 0.008763370 0.011164457 0.014309447 0.015933994 0.018473149 0.020755946 0.023977821 0.027191367 0.029410083 0.030173664 0.032616937 0.032954551 0.034173878 0.035576775 0.039502237 0.042614823 0.046453006 0.047313879 0.048393046 0.050100058 0.050597400 0.052110660 0.052594706 0.053217307 0.055181762 0.057227652 0.058932653 0.060285012 0.065170941 0.066264788 0.070253595 0.071668668 0.075120510 0.076184150 0.077065747 0.077572958 0.081433414 0.082158768 0.087690554 0.091267160 0.093349462 0.098419396 0.100083846 0.110300561 0.112813643 0.113294532 0.113770459 0.119162731 0.127706161 0.135456048 0.136385714 0.139569767 0.140238364 0.147144691 0.153376750 0.154132615 0.160206721 0.170221555 0.175000089 0.178502534 0.184468450 0.193866487 0.202789848 0.211713221 0.214537198 0.218255227 0.238806346 0.249356359 0.260863991 0.296439196 0.309810759 0.339850308 0.377273708 0.406780511 0.459615740 0.498428587 0.522298789 0.565092264 0.597272018 0.616620009 0.633368131 0.674202144 0.728295595 0.740173084 0.752644528 0.757083807 0.773092847 0.776243283 0.781251866 0.781826397 0.785023704 0.789345873 0.800990368 0.810831192 0.819269139 0.820848633 0.825677631 0.844134990 0.850109047 0.853177041 0.867848811 0.892528034 0.895205194 0.899684493 0.908479572 0.913512075 0.917876741 0.920220963 0.968633867 1.341292865 1.456103229</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54505898" y3="-1.47869622" z3="1.55592919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54981662" y3="-1.93685072" z3="1.60417048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.84874026" y3="-2.23856795" z3="1.15543962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59470166" y3="-0.64952867" z3="0.824339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11321114" y3="-0.97913498" z3="2.93304757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08790403" y3="-0.56347106" z3="2.86892937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.0778375" y3="-1.82285818" z3="3.64263987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05515237" y3="0.07650214" z3="3.51153108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06411335" y3="-0.36489317" z3="3.59041263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12029932" y3="0.93209478" z3="2.8088736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64798375" y3="0.57649153" z3="4.89376685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26196335" y3="1.45557898" z3="5.17376623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6000122" y3="0.93295386" z3="4.88078385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83061669" y3="-0.47365731" z3="6.00842574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.3373383" y3="-1.1266079" z3="8.39237096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25556754" y3="-1.73674991" z3="8.31025105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37080023" y3="-0.61962007" z3="9.38200163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.14429037" y3="-2.10415" z3="8.38727064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.1769345" y3="-2.66776129" z3="7.43562027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.26763134" y3="-2.84443891" z3="9.20463721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21091779" y3="-1.41044184" z3="8.51568855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.28014" y3="-0.91619819" z3="9.50686138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25050551" y3="-0.60280404" z3="7.76356035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.42830798" y3="-2.31793798" z3="8.31813099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34565409" y3="-1.69858566" z3="8.33791175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.38078548" y3="-2.76280524" z3="7.30590154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.56379999" y3="-3.43539057" z3="9.35183923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58330209" y3="-3.02283002" z3="10.37786117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71796878" y3="-4.14211195" z3="9.29526962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.49416415" y3="-4.01332004" z3="9.20253632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48506184" y3="-1.51371104" z3="5.74920602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.33800744" y3="-0.12246871" z3="7.27520423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.6781752" y3="0.7496738" z3="7.35046559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.20361509" y3="2.02151924" z3="6.92213602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.46881701" y3="2.82941917" z3="6.7774119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.17261509" y3="2.4623046" z3="7.22283453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34113009" y3="1.52535832" z3="5.94439736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.69794898" y3="1.0224101" z3="7.96174837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.66064985" y3="1.51220908" z3="8.95551542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42562907" y3="0.19387261" z3="8.05874814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31716665" y3="0.42742366" z3="7.63383068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.30775607" y3="0.02034122" z3="6.6062316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11022281" y3="-0.42353783" z3="8.30317209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.21080824" y3="1.45374551" z3="7.79200037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11799281" y3="2.44962148" z3="7.08583229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.68394493" y3="1.41806557" z3="8.77938585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5451,-1.4787,1.5559;-3.5498,-1.9369,1.6042;-1.8487,-2.2386,1.1554;-2.5947,-.6495,.8243;-2.1132,-.9791,2.933;-1.0879,-.5635,2.8689;-2.0778,-1.8229,3.6426;-3.0552,.0765,3.5115;-4.0641,-.3649,3.5904;-3.1203,.9321,2.8089;-2.648,.5765,4.8938;-3.262,1.4556,5.1738;-1.6,.933,4.8808;-2.8306,-.4737,6.0084;-2.3373,-1.1266,8.3924;-3.2556,-1.7367,8.3103;-2.3708,-.6196,9.382;-1.1443,-2.1042,8.3873;-1.1769,-2.6678,7.4356;-1.2676,-2.8444,9.2046;.2109,-1.4104,8.5157;.2801,-.9162,9.5069;.2505,-.6028,7.7636;1.4283,-2.3179,8.3181;2.3457,-1.6986,8.3379;1.3808,-2.7628,7.3059;1.5638,-3.4354,9.3518;1.5833,-3.0228,10.3779;.718,-4.1421,9.2953;2.4942,-4.0133,9.2025;-3.4851,-1.5137,5.7492;-2.338,-.1225,7.2752;-1.6782,.7497,7.3505;-7.2036,2.0215,6.9221;-6.4688,2.8294,6.7774;-8.1726,2.4623,7.2228;-7.3411,1.5254,5.9444;-6.6979,1.0224,7.9617;-6.6606,1.5122,8.9555;-7.4256,.1939,8.0587;-5.3172,.4274,7.6338;-5.3078,.0203,6.6062;-5.1102,-.4235,8.3032;-4.2108,1.4537,7.792;-4.118,2.4496,7.0858;-3.6839,1.4181,8.7794;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722756517853</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002888855137 0.000375297572 0.027366302896 0.008512569434</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.001794956 -0.000469726 0.000039154 0.000107902 0.000123341 0.000232509 0.000365732 0.000478741 0.000638043 0.001056579 0.001348824 0.002546532 0.002894295 0.003179798 0.003783585 0.003848391 0.005111728 0.005426980 0.005554281 0.006543703 0.007418574 0.008765962 0.011160377 0.014313439 0.015940530 0.018472617 0.020754831 0.023978881 0.027192090 0.029422900 0.030177869 0.032618056 0.032954305 0.034173669 0.035578652 0.039502305 0.042613528 0.046453111 0.047314560 0.048394767 0.050099775 0.050597668 0.052110436 0.052595007 0.053217667 0.055181330 0.057229143 0.058932707 0.060284558 0.065174272 0.066264928 0.070254003 0.071676500 0.075119793 0.076184511 0.077066592 0.077577869 0.081434318 0.082158197 0.087695891 0.091271310 0.093350985 0.098419903 0.100084575 0.110299475 0.112813505 0.113294513 0.113770429 0.119162682 0.127709559 0.135457921 0.136386059 0.139571363 0.140238473 0.147145314 0.153379270 0.154142068 0.160206350 0.170221899 0.175005889 0.178506339 0.184468409 0.193866875 0.202788877 0.211732842 0.214561247 0.218264926 0.238818509 0.249346634 0.260862044 0.296438979 0.309812285 0.339849272 0.377273807 0.406780353 0.459615045 0.498437057 0.522298675 0.565092000 0.597273335 0.616639176 0.633368059 0.674207524 0.728338188 0.740173054 0.752644780 0.757083805 0.773093078 0.776247849 0.781251789 0.781825279 0.785023675 0.789345833 0.800990046 0.810831279 0.819269216 0.820848782 0.825677608 0.844134997 0.850108882 0.853176906 0.867848323 0.892527976 0.895205163 0.899684103 0.908479385 0.913512007 0.917876393 0.920220846 0.968624050 1.341614209 1.456110222</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54759547" y3="-1.47727509" z3="1.55388185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55188009" y3="-1.93625243" z3="1.60386344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85188459" y3="-2.23570252" z3="1.14965625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59983272" y3="-0.64637756" z3="0.82448206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11200931" y3="-0.98079276" z3="2.93089109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08716669" y3="-0.56431419" z3="2.86463578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.07366266" y3="-1.82621942" z3="3.63825143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05242195" y3="0.07335525" z3="3.51487646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06173659" y3="-0.36729894" z3="3.59423326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11894966" y3="0.9309423" z3="2.81492749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64111957" y3="0.56969253" z3="4.8971123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24892179" y3="1.45157116" z3="5.1829846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59118833" y3="0.92040333" z3="4.88366756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8269451" y3="-0.47804386" z3="6.01126829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34751446" y3="-1.12208756" z3="8.40021932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26328433" y3="-1.73606964" z3="8.322052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37786906" y3="-0.61755041" z3="9.3907801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1515682" y3="-2.09622107" z3="8.38648606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.1862874" y3="-2.65823827" z3="7.43402315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27138047" y3="-2.83892085" z3="9.20211948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20405603" y3="-1.40277019" z3="8.51366088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27469086" y3="-0.90949936" z3="9.50514057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24387593" y3="-0.59435584" z3="7.76241794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.42148726" y3="-2.31040648" z3="8.31434168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33854307" y3="-1.6906013" z3="8.33267085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.3729235" y3="-2.75550729" z3="7.30227308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.56014604" y3="-3.42788009" z3="9.34778648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58110153" y3="-3.01572865" z3="10.37392525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71557031" y3="-4.13620122" z3="9.29261384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.49120954" y3="-4.00426966" z3="9.19666314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46133644" y3="-1.52727996" z3="5.75104444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3619098" y3="-0.1113957" z3="7.28766354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69319461" y3="0.75396048" z3="7.3599925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.19303343" y3="2.02693235" z3="6.92707469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.45053259" y3="2.82744554" z3="6.77906069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.15620159" y3="2.47615131" z3="7.23516038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.34248123" y3="1.53379971" z3="5.94939485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.68936419" y3="1.02111031" z3="7.96136965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6422451" y3="1.50846091" z3="8.95591963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42419907" y3="0.19885291" z3="8.06096242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31591811" y3="0.4148248" z3="7.62422183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.31705356" y3="0.01670118" z3="6.59340806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11747802" y3="-0.44319912" z3="8.28693861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.19387734" y3="1.42637921" z3="7.78251879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10072542" y3="2.42770167" z3="7.07760033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.69480395" y3="1.40263072" z3="8.78365217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5476,-1.4773,1.5539;-3.5519,-1.9363,1.6039;-1.8519,-2.2357,1.1497;-2.5998,-.6464,.8245;-2.112,-.9808,2.9309;-1.0872,-.5643,2.8646;-2.0737,-1.8262,3.6383;-3.0524,.0734,3.5149;-4.0617,-.3673,3.5942;-3.1189,.9309,2.8149;-2.6411,.5697,4.8971;-3.2489,1.4516,5.183;-1.5912,.9204,4.8837;-2.8269,-.478,6.0113;-2.3475,-1.1221,8.4002;-3.2633,-1.7361,8.3221;-2.3779,-.6176,9.3908;-1.1516,-2.0962,8.3865;-1.1863,-2.6582,7.434;-1.2714,-2.8389,9.2021;.2041,-1.4028,8.5137;.2747,-.9095,9.5051;.2439,-.5944,7.7624;1.4215,-2.3104,8.3143;2.3385,-1.6906,8.3327;1.3729,-2.7555,7.3023;1.5601,-3.4279,9.3478;1.5811,-3.0157,10.3739;.7156,-4.1362,9.2926;2.4912,-4.0043,9.1967;-3.4613,-1.5273,5.751;-2.3619,-.1114,7.2877;-1.6932,.754,7.36;-7.193,2.0269,6.9271;-6.4505,2.8274,6.7791;-8.1562,2.4762,7.2352;-7.3425,1.5338,5.9494;-6.6894,1.0211,7.9614;-6.6422,1.5085,8.9559;-7.4242,.1989,8.061;-5.3159,.4148,7.6242;-5.3171,.0167,6.5934;-5.1175,-.4432,8.2869;-4.1939,1.4264,7.7825;-4.1007,2.4277,7.0776;-3.6948,1.4026,8.7837;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722789743609</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001011043694 0.000172866825 0.025646157460 0.008512941507</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.007269002 -0.000843556 0.000041801 0.000106364 0.000127610 0.000314985 0.000468182 0.000622042 0.000744059 0.001214026 0.001391981 0.002513409 0.002882089 0.003225718 0.003801815 0.004069119 0.005348441 0.005433264 0.005554106 0.006512309 0.007960768 0.010416940 0.011239687 0.014317687 0.017179948 0.018794020 0.020744466 0.024036204 0.027295062 0.029723137 0.030643496 0.032654325 0.033089178 0.034173210 0.035764711 0.039509230 0.042739210 0.046454830 0.047324823 0.048403755 0.050101484 0.050596935 0.052124303 0.052600887 0.053221054 0.055245627 0.057271865 0.058932728 0.060286660 0.065333305 0.066264426 0.070266664 0.071930610 0.075227040 0.076186103 0.077073320 0.077666420 0.081434991 0.082220038 0.087949462 0.091445496 0.093358949 0.098427490 0.100103285 0.110317856 0.112812764 0.113295053 0.113770171 0.119162015 0.127713162 0.135466612 0.136386791 0.139571742 0.140239265 0.147250149 0.153419331 0.154277045 0.160206247 0.170219855 0.175006269 0.178586048 0.184472983 0.193896443 0.202790324 0.211950887 0.214848002 0.218424735 0.238919818 0.249300648 0.260977761 0.296436935 0.309876003 0.339888797 0.377273614 0.406783684 0.459648545 0.498453972 0.522308377 0.565109205 0.597272606 0.616749457 0.633368589 0.674251771 0.728688107 0.740174419 0.752646201 0.757083813 0.773096539 0.776358196 0.781251441 0.781904796 0.785025628 0.789346448 0.800990587 0.810831277 0.819302852 0.820892101 0.825678523 0.844134636 0.850111139 0.853176991 0.867847565 0.892534683 0.895230307 0.899723647 0.908487500 0.913546109 0.917876084 0.920221077 0.968598350 1.343653011 1.456102633</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55031394" y3="-1.47998734" z3="1.55627119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55529868" y3="-1.93747094" z3="1.60631074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85534911" y3="-2.24019484" z3="1.15388287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.6007236" y3="-0.65013314" z3="0.82545537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11474861" y3="-0.98248657" z3="2.93288667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08925687" y3="-0.56752996" z3="2.86665688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.0778484" y3="-1.82724545" z3="3.64120495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05326856" y3="0.07401309" z3="3.51620478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06434276" y3="-0.36312726" z3="3.59342389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11646826" y3="0.93242587" z3="2.81691003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64051064" y3="0.56809985" z3="4.89876581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24624546" y3="1.45015053" z3="5.18923911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59027391" y3="0.91789778" z3="4.88509061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82611102" y3="-0.4788801" z3="6.01231599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35477306" y3="-1.11484739" z3="8.40532138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26915575" y3="-1.73132032" z3="8.33116148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3822582" y3="-0.61166949" z3="9.39649142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15738162" y3="-2.08610861" z3="8.38248747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.19384359" y3="-2.6412419" z3="7.42634614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27594984" y3="-2.83438506" z3="9.19270174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19886652" y3="-1.39442456" z3="8.51319895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26933448" y3="-0.90440403" z3="9.50626944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24201176" y3="-0.58344505" z3="7.76480283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41461896" y3="-2.30442234" z3="8.31267399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33272705" y3="-1.68618658" z3="8.32840234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36320201" y3="-2.75066428" z3="7.30126208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.55489976" y3="-3.42124731" z3="9.34681348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58172321" y3="-3.00846006" z3="10.37256709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.70894329" y3="-4.12829097" z3="9.2962893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.4841401" y3="-3.99958006" z3="9.19181888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.44888682" y3="-1.53432211" z3="5.75109526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37803039" y3="-0.10150572" z3="7.29513033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70528237" y3="0.7615104" z3="7.36484387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17747763" y3="2.03270109" z3="6.9344977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.43294604" y3="2.83449736" z3="6.79852461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.14231457" y3="2.47864992" z3="7.24480565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.32342995" y3="1.55059435" z3="5.94977965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67856935" y3="1.01406052" z3="7.95844341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.62274052" y3="1.49269584" z3="8.95678727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42038946" y3="0.1975459" z3="8.05403752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31221061" y3="0.39870457" z3="7.61096244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.32306427" y3="0.01019871" z3="6.57658443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.12013165" y3="-0.46749771" z3="8.2654764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.18022974" y3="1.40073305" z3="7.77350185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.08425491" y3="2.4066716" z3="7.07310135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.70035578" y3="1.38038494" z3="8.78708959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5503,-1.48,1.5563;-3.5553,-1.9375,1.6063;-1.8553,-2.2402,1.1539;-2.6007,-.6501,.8255;-2.1147,-.9825,2.9329;-1.0893,-.5675,2.8667;-2.0778,-1.8272,3.6412;-3.0533,.074,3.5162;-4.0643,-.3631,3.5934;-3.1165,.9324,2.8169;-2.6405,.5681,4.8988;-3.2462,1.4502,5.1892;-1.5903,.9179,4.8851;-2.8261,-.4789,6.0123;-2.3548,-1.1148,8.4053;-3.2692,-1.7313,8.3312;-2.3823,-.6117,9.3965;-1.1574,-2.0861,8.3825;-1.1938,-2.6412,7.4263;-1.2759,-2.8344,9.1927;.1989,-1.3944,8.5132;.2693,-.9044,9.5063;.242,-.5834,7.7648;1.4146,-2.3044,8.3127;2.3327,-1.6862,8.3284;1.3632,-2.7507,7.3013;1.5549,-3.4212,9.3468;1.5817,-3.0085,10.3726;.7089,-4.1283,9.2963;2.4841,-3.9996,9.1918;-3.4489,-1.5343,5.7511;-2.378,-.1015,7.2951;-1.7053,.7615,7.3648;-7.1775,2.0327,6.9345;-6.4329,2.8345,6.7985;-8.1423,2.4786,7.2448;-7.3234,1.5506,5.9498;-6.6786,1.0141,7.9584;-6.6227,1.4927,8.9568;-7.4204,.1975,8.054;-5.3122,.3987,7.611;-5.3231,.0102,6.5766;-5.1201,-.4675,8.2655;-4.1802,1.4007,7.7735;-4.0843,2.4067,7.0731;-3.7004,1.3804,8.7871;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722868494656</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003957404107 0.000500721538 0.033818483949 0.008513208789</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.007129291 -0.001153388 0.000038667 0.000111317 0.000126265 0.000299406 0.000402182 0.000632552 0.000645891 0.001149642 0.001408467 0.002514778 0.002899570 0.003222013 0.003803368 0.004104777 0.005372099 0.005483762 0.005563147 0.006596225 0.008004577 0.010387884 0.011229106 0.014317342 0.017253951 0.018825907 0.020764956 0.024043315 0.027307178 0.029747138 0.030727628 0.032670922 0.033102817 0.034173904 0.035819609 0.039509626 0.042755729 0.046456462 0.047327218 0.048406845 0.050101632 0.050597636 0.052127369 0.052601716 0.053229391 0.055250145 0.057277867 0.058932752 0.060291767 0.065344542 0.066264376 0.070267893 0.071956422 0.075236935 0.076185998 0.077074499 0.077678663 0.081434486 0.082221860 0.087959434 0.091457665 0.093358871 0.098429070 0.100103988 0.110323043 0.112813205 0.113295268 0.113770330 0.119162005 0.127712218 0.135466440 0.136388211 0.139573170 0.140239224 0.147259010 0.153426216 0.154301218 0.160215462 0.170221629 0.175004795 0.178595185 0.184473430 0.193899753 0.202801467 0.211958496 0.214860422 0.218439775 0.238958836 0.249387055 0.261004295 0.296440608 0.309894084 0.339902832 0.377296447 0.406805701 0.459671323 0.498590943 0.522314410 0.565115580 0.597273476 0.616758143 0.633368969 0.674260223 0.728799247 0.740174581 0.752647545 0.757083854 0.773096787 0.776365374 0.781252172 0.781950194 0.785026713 0.789346847 0.800990795 0.810836024 0.819303851 0.820894747 0.825678542 0.844135127 0.850111537 0.853177286 0.867848322 0.892535444 0.895236383 0.899727279 0.908500727 0.913560325 0.917876258 0.920221245 0.968629899 1.344013890 1.456112925</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55517826" y3="-1.48044547" z3="1.55569083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.56012732" y3="-1.9377037" z3="1.60790054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.86188305" y3="-2.23991558" z3="1.14938283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.6076426" y3="-0.64899788" z3="0.82700434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11492409" y3="-0.98613943" z3="2.93184855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.0892314" y3="-0.57212962" z3="2.86341417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.07710758" y3="-1.83189086" z3="3.63867658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05017751" y3="0.07044827" z3="3.51977154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06205925" y3="-0.36484399" z3="3.59783385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11349453" y3="0.93050587" z3="2.82267776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63310967" y3="0.56128031" z3="4.90215493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23406275" y3="1.44571389" z3="5.19480357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58128056" y3="0.90621255" z3="4.88674923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81996524" y3="-0.48541327" z3="6.0153604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35976339" y3="-1.11393974" z3="8.41245509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27351031" y3="-1.7318059" z3="8.34069122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38681035" y3="-0.60925878" z3="9.4027798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16107571" y3="-2.08357552" z3="8.3887157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.19882334" y3="-2.63994961" z3="7.43325515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27684308" y3="-2.83097587" z3="9.20023463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19420924" y3="-1.38938398" z3="8.5156463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26712253" y3="-0.89999356" z3="9.50885619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23347217" y3="-0.57768687" z3="7.767812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41082958" y3="-2.29702824" z3="8.31002276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32788532" y3="-1.67714895" z3="8.32233605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.356065" y3="-2.74288407" z3="7.29861493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.55723367" y3="-3.41407309" z3="9.34307814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58829569" y3="-3.00170004" z3="10.36889551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71193406" y3="-4.12216499" z3="9.29612067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.48650237" y3="-3.99112853" z3="9.18351823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43046699" y3="-1.54627354" z3="5.75230388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38530512" y3="-0.10144672" z3="7.30132425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7139603" y3="0.76284142" z3="7.37168788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17214896" y3="2.0457511" z3="6.94429434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.4226544" y3="2.84204835" z3="6.81488897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.13018226" y3="2.49569776" z3="7.26452949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.32761537" y3="1.57888534" z3="5.95480659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67615865" y3="1.00948244" z3="7.95241678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6130021" y3="1.47376213" z3="8.95706055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42283135" y3="0.19662005" z3="8.03964413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.31468129" y3="0.39111708" z3="7.59130807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.33106663" y3="0.01983187" z3="6.55052986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.12571613" y3="-0.48665925" z3="8.23165791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17747352" y3="1.38572517" z3="7.76641151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.07274141" y3="2.39517683" z3="7.07083429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.71444396" y3="1.36391287" z3="8.78788827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5552,-1.4804,1.5557;-3.5601,-1.9377,1.6079;-1.8619,-2.2399,1.1494;-2.6076,-.649,.827;-2.1149,-.9861,2.9318;-1.0892,-.5721,2.8634;-2.0771,-1.8319,3.6387;-3.0502,.0704,3.5198;-4.0621,-.3648,3.5978;-3.1135,.9305,2.8227;-2.6331,.5613,4.9022;-3.2341,1.4457,5.1948;-1.5813,.9062,4.8867;-2.82,-.4854,6.0154;-2.3598,-1.1139,8.4125;-3.2735,-1.7318,8.3407;-2.3868,-.6093,9.4028;-1.1611,-2.0836,8.3887;-1.1988,-2.6399,7.4333;-1.2768,-2.831,9.2002;.1942,-1.3894,8.5156;.2671,-.9,9.5089;.2335,-.5777,7.7678;1.4108,-2.297,8.31;2.3279,-1.6771,8.3223;1.3561,-2.7429,7.2986;1.5572,-3.4141,9.3431;1.5883,-3.0017,10.3689;.7119,-4.1222,9.2961;2.4865,-3.9911,9.1835;-3.4305,-1.5463,5.7523;-2.3853,-.1014,7.3013;-1.714,.7628,7.3717;-7.1721,2.0458,6.9443;-6.4227,2.842,6.8149;-8.1302,2.4957,7.2645;-7.3276,1.5789,5.9548;-6.6762,1.0095,7.9524;-6.613,1.4738,8.9571;-7.4228,.1966,8.0396;-5.3147,.3911,7.5913;-5.3311,.0198,6.5505;-5.1257,-.4867,8.2317;-4.1775,1.3857,7.7664;-4.0727,2.3952,7.0708;-3.7144,1.3639,8.7879;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722880087042</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003877287391 0.000522535908 0.026726823722 0.008512822523</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.006294943 -0.000344177 0.000044717 0.000111096 0.000127197 0.000306542 0.000452464 0.000606529 0.000646859 0.001149124 0.001465054 0.002521201 0.002898532 0.003221237 0.003825274 0.004130065 0.005371837 0.005493903 0.005570792 0.006610584 0.008017251 0.010401612 0.011236577 0.014323216 0.017255865 0.018838782 0.020763422 0.024043180 0.027307749 0.029743186 0.030711353 0.032666707 0.033105235 0.034173884 0.035809912 0.039510044 0.042751483 0.046456556 0.047326189 0.048417071 0.050102006 0.050598950 0.052128253 0.052601683 0.053234964 0.055255005 0.057277312 0.058932663 0.060293788 0.065356964 0.066265279 0.070269607 0.071974886 0.075239551 0.076187200 0.077077231 0.077690778 0.081435693 0.082221439 0.087988625 0.091475867 0.093364587 0.098429667 0.100107114 0.110321675 0.112813470 0.113295207 0.113770398 0.119162150 0.127724251 0.135476931 0.136387739 0.139577255 0.140239360 0.147261712 0.153425661 0.154306920 0.160229389 0.170228743 0.175019373 0.178601719 0.184473520 0.193902837 0.202802617 0.212021825 0.214941003 0.218477353 0.238961549 0.249388192 0.261001623 0.296440584 0.309894296 0.339901742 0.377309982 0.406807238 0.459671296 0.498641896 0.522314251 0.565115925 0.597273926 0.616809243 0.633369097 0.674267808 0.728818859 0.740176513 0.752647579 0.757083945 0.773098737 0.776401044 0.781254823 0.782017213 0.785026695 0.789346962 0.800999519 0.810838236 0.819310628 0.820900517 0.825678631 0.844145651 0.850112976 0.853177475 0.867850023 0.892536135 0.895238405 0.899739176 0.908500183 0.913560709 0.917877332 0.920221363 0.968668900 1.344679983 1.456119110</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55290279" y3="-1.48032538" z3="1.55575578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55772627" y3="-1.93795863" z3="1.60707821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85879223" y3="-2.23965197" z3="1.15055335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.60498917" y3="-0.64927386" z3="0.82655577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11474808" y3="-0.98472161" z3="2.93218036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08887958" y3="-0.57093117" z3="2.86503689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.07827621" y3="-1.82988584" z3="3.63987954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05147872" y3="0.07219245" z3="3.5168873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06263762" y3="-0.36451316" z3="3.59517827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11459828" y3="0.93080386" z3="2.81790694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63781242" y3="0.56564487" z3="4.89935044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24284088" y3="1.44869997" z3="5.18677332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58704256" y3="0.91366551" z3="4.88513699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8247956" y3="-0.48250503" z3="6.01297683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35084655" y3="-1.11988061" z3="8.40562782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26632026" y3="-1.73479233" z3="8.32959245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38173351" y3="-0.61284257" z3="9.39495702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15413406" y3="-2.09234377" z3="8.3919441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18941105" y3="-2.65337861" z3="7.43905376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27282004" y3="-2.83533517" z3="9.20720499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20084637" y3="-1.39751272" z3="8.51827867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27325081" y3="-0.90655587" z3="9.51079298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23881516" y3="-0.58710626" z3="7.76902057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41810775" y3="-2.30408654" z3="8.31351176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33477486" y3="-1.6836334" z3="8.3270331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36450806" y3="-2.74932729" z3="7.30176873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.56345038" y3="-3.42149245" z3="9.34614819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59237712" y3="-3.00942006" z3="10.37213803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71830239" y3="-4.12963067" z3="9.29730428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.49317726" y3="-3.99816194" z3="9.18799751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45634677" y3="-1.53337186" z3="5.75143152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36470732" y3="-0.11260233" z3="7.29056897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69828221" y3="0.75517036" z3="7.36257386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.18525818" y3="2.04131155" z3="6.9386784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.44301582" y3="2.84493861" z3="6.8099712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1491286" y3="2.48347744" z3="7.2529964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.33104237" y3="1.56962319" z3="5.94996294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.68572159" y3="1.01319851" z3="7.95282127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.632861" y3="1.48113765" z3="8.95614193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.42497532" y3="0.19377789" z3="8.03858935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.3168683" y3="0.40581775" z3="7.60152284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.32299156" y3="0.025959" z3="6.5639584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.12082508" y3="-0.46496364" z3="8.24849865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.19245757" y3="1.412452" z3="7.77520419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.08970959" y3="2.41748894" z3="7.07784485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.7046018" y3="1.38130139" z3="8.78349954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5529,-1.4803,1.5558;-3.5577,-1.938,1.6071;-1.8588,-2.2397,1.1506;-2.605,-.6493,.8266;-2.1147,-.9847,2.9322;-1.0889,-.5709,2.865;-2.0783,-1.8299,3.6399;-3.0515,.0722,3.5169;-4.0626,-.3645,3.5952;-3.1146,.9308,2.8179;-2.6378,.5656,4.8994;-3.2428,1.4487,5.1868;-1.587,.9137,4.8851;-2.8248,-.4825,6.013;-2.3508,-1.1199,8.4056;-3.2663,-1.7348,8.3296;-2.3817,-.6128,9.395;-1.1541,-2.0923,8.3919;-1.1894,-2.6534,7.4391;-1.2728,-2.8353,9.2072;.2008,-1.3975,8.5183;.2733,-.9066,9.5108;.2388,-.5871,7.769;1.4181,-2.3041,8.3135;2.3348,-1.6836,8.327;1.3645,-2.7493,7.3018;1.5635,-3.4215,9.3461;1.5924,-3.0094,10.3721;.7183,-4.1296,9.2973;2.4932,-3.9982,9.188;-3.4563,-1.5334,5.7514;-2.3647,-.1126,7.2906;-1.6983,.7552,7.3626;-7.1853,2.0413,6.9387;-6.443,2.8449,6.81;-8.1491,2.4835,7.253;-7.331,1.5696,5.95;-6.6857,1.0132,7.9528;-6.6329,1.4811,8.9561;-7.425,.1938,8.0386;-5.3169,.4058,7.6015;-5.323,.026,6.564;-5.1208,-.465,8.2485;-4.1925,1.4125,7.7752;-4.0897,2.4175,7.0778;-3.7046,1.3813,8.7835;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722779972316</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003354671955 0.000406250425 0.023742941156 0.008512107965</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.001785894 -0.000740642 0.000035726 0.000114253 0.000126188 0.000299357 0.000360021 0.000626418 0.000689621 0.001078872 0.001559541 0.002523233 0.002894134 0.003216861 0.003832069 0.004139582 0.005356178 0.005495596 0.005582787 0.006612804 0.008011462 0.010349841 0.011217498 0.014326053 0.017180173 0.018802817 0.020758088 0.024032944 0.027298930 0.029718215 0.030624870 0.032654851 0.033093657 0.034173920 0.035769475 0.039509724 0.042741820 0.046456428 0.047324037 0.048423317 0.050102269 0.050600901 0.052131125 0.052600988 0.053237163 0.055253663 0.057275993 0.058932760 0.060292509 0.065354216 0.066266315 0.070268484 0.071975716 0.075231295 0.076188175 0.077080493 0.077692279 0.081436566 0.082224396 0.088001786 0.091483239 0.093368698 0.098429494 0.100109932 0.110318538 0.112813766 0.113295038 0.113770562 0.119162276 0.127734261 0.135488870 0.136386846 0.139580709 0.140239741 0.147261628 0.153423599 0.154310110 0.160233191 0.170231874 0.175026341 0.178604705 0.184473286 0.193904102 0.202806179 0.212056439 0.214994436 0.218505838 0.238950479 0.249413023 0.260993784 0.296440602 0.309899052 0.339899015 0.377310243 0.406805993 0.459669483 0.498647812 0.522313567 0.565116162 0.597274547 0.616867811 0.633369750 0.674284892 0.728897444 0.740177769 0.752647549 0.757084026 0.773099896 0.776430444 0.781258990 0.782072589 0.785026645 0.789347210 0.801015893 0.810846806 0.819314604 0.820903344 0.825679720 0.844153117 0.850115951 0.853177281 0.867852863 0.892536841 0.895239162 0.899748850 0.908502091 0.913559700 0.917878145 0.920221269 0.968716730 1.346196171 1.456117893</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54976749" y3="-1.48499995" z3="1.56123039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55627959" y3="-1.93945504" z3="1.60858659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85505712" y3="-2.24910623" z3="1.16584937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59433932" y3="-0.65856503" z3="0.82616647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11955262" y3="-0.98231724" z3="2.93765369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09274335" y3="-0.57019835" z3="2.87477078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.0885621" y3="-1.82397363" z3="3.6498708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.05876393" y3="0.07843399" z3="3.51181114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07071631" y3="-0.35708876" z3="3.58675628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11775103" y3="0.93388651" z3="2.8084564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.65223996" y3="0.57812594" z3="4.89434845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26658382" y3="1.45568234" z3="5.18065102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60504984" y3="0.93701491" z3="4.88197305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83140759" y3="-0.47019935" z3="6.00831407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34467104" y3="-1.115624" z3="8.39599184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25995105" y3="-1.73023812" z3="8.31826295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37480138" y3="-0.61155154" z3="9.38671199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.14911307" y3="-2.09024019" z3="8.381782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18114805" y3="-2.64825091" z3="7.42694425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27367234" y3="-2.83624683" z3="9.19360702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2084774" y3="-1.40190394" z3="8.51765447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27741457" y3="-0.91364264" z3="9.51171162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25490856" y3="-0.59004794" z3="7.77037966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.42324673" y3="-2.31377685" z3="8.31862579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34230995" y3="-1.6969103" z3="8.33497497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37212535" y3="-2.76010984" z3="7.30723073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.56137737" y3="-3.43064978" z3="9.35300584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59182499" y3="-3.01753335" z3="10.37853656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.71269653" y3="-4.13459312" z3="9.30439534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.48821974" y3="-4.01250467" z3="9.19649896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46518249" y3="-1.51883514" z3="5.75095064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36311502" y3="-0.10377833" z3="7.28435702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68944659" y3="0.75809587" z3="7.35309602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.18783447" y3="2.03279304" z3="6.93383671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.45463984" y3="2.84616909" z3="6.81323685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.16139225" y3="2.46195856" z3="7.23760586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.31674868" y3="1.55914588" z3="5.9435507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.68592187" y3="1.01098484" z3="7.9533991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.64451915" y3="1.48181522" z3="8.95645898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.4199399" y3="0.18571442" z3="8.03520718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.3111403" y3="0.41004535" z3="7.61269508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.31264365" y3="0.02066366" z3="6.57843133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11381347" y3="-0.45453807" z3="8.26754727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.18720829" y3="1.41867651" z3="7.77962765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.0944045" y3="2.42592252" z3="7.08105997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6964485" y3="1.39220673" z3="8.78407538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5498,-1.485,1.5612;-3.5563,-1.9395,1.6086;-1.8551,-2.2491,1.1658;-2.5943,-.6586,.8262;-2.1196,-.9823,2.9377;-1.0927,-.5702,2.8748;-2.0886,-1.824,3.6499;-3.0588,.0784,3.5118;-4.0707,-.3571,3.5868;-3.1178,.9339,2.8085;-2.6522,.5781,4.8943;-3.2666,1.4557,5.1807;-1.605,.937,4.882;-2.8314,-.4702,6.0083;-2.3447,-1.1156,8.396;-3.26,-1.7302,8.3183;-2.3748,-.6116,9.3867;-1.1491,-2.0902,8.3818;-1.1811,-2.6483,7.4269;-1.2737,-2.8362,9.1936;.2085,-1.4019,8.5177;.2774,-.9136,9.5117;.2549,-.59,7.7704;1.4232,-2.3138,8.3186;2.3423,-1.6969,8.335;1.3721,-2.7601,7.3072;1.5614,-3.4306,9.353;1.5918,-3.0175,10.3785;.7127,-4.1346,9.3044;2.4882,-4.0125,9.1965;-3.4652,-1.5188,5.751;-2.3631,-.1038,7.2844;-1.6894,.7581,7.3531;-7.1878,2.0328,6.9338;-6.4546,2.8462,6.8132;-8.1614,2.462,7.2376;-7.3167,1.5591,5.9436;-6.6859,1.011,7.9534;-6.6445,1.4818,8.9565;-7.4199,.1857,8.0352;-5.3111,.41,7.6127;-5.3126,.0207,6.5784;-5.1138,-.4545,8.2675;-4.1872,1.4187,7.7796;-4.0944,2.4259,7.0811;-3.6964,1.3922,8.7841;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722825208383</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003732842777 0.000448609262 0.025044969274 0.008511639134</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.002887938 -0.000929056 0.000042025 0.000111816 0.000127002 0.000317290 0.000464460 0.000643753 0.000891455 0.001370528 0.001507456 0.002521347 0.002895895 0.003219288 0.003828464 0.004138148 0.005383921 0.005489844 0.005577599 0.006606086 0.008012882 0.010575153 0.011253650 0.014325942 0.017367864 0.018934492 0.020783812 0.024055009 0.027304397 0.029762562 0.030765900 0.032680670 0.033106921 0.034177683 0.035823996 0.039510576 0.042810666 0.046457073 0.047326074 0.048423003 0.050103368 0.050602034 0.052130973 0.052603047 0.053236878 0.055264196 0.057296760 0.058933405 0.060296869 0.065380008 0.066267090 0.070270678 0.072033333 0.075238972 0.076187951 0.077084806 0.077717618 0.081436203 0.082223243 0.088039800 0.091517947 0.093371031 0.098430670 0.100114127 0.110322134 0.112813720 0.113295710 0.113771262 0.119162247 0.127734207 0.135491070 0.136389580 0.139581693 0.140240171 0.147278556 0.153426980 0.154338593 0.160234473 0.170231610 0.175025254 0.178620354 0.184473359 0.193908116 0.202819701 0.212061161 0.215028791 0.218542274 0.238983778 0.249417180 0.261008515 0.296442740 0.309943030 0.339905865 0.377308765 0.406807694 0.459671351 0.498661475 0.522314216 0.565119722 0.597275408 0.616899930 0.633370645 0.674311578 0.728979719 0.740178299 0.752647698 0.757084279 0.773099883 0.776435602 0.781259406 0.782085986 0.785026765 0.789347480 0.801016623 0.810850507 0.819319931 0.820908362 0.825679714 0.844159372 0.850116232 0.853180413 0.867853183 0.892537067 0.895240218 0.899750006 0.908503132 0.913559688 0.917878593 0.920221228 0.968743878 1.346967654 1.456313146</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54625069" y3="-1.48516247" z3="1.56413966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55317473" y3="-1.93887919" z3="1.60942353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85073169" y3="-2.25108903" z3="1.17382647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.58756633" y3="-0.66119543" z3="0.82620078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12010803" y3="-0.97884155" z3="2.94040159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.0936193" y3="-0.56571651" z3="2.87915192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09000737" y3="-1.81885212" z3="3.65451784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.06117641" y3="0.08209873" z3="3.51122054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07324898" y3="-0.35347543" z3="3.58435336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11933998" y3="0.93699439" z3="2.8071948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.65594474" y3="0.58276576" z3="4.89376346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.27351801" y3="1.45716525" z3="5.18255139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61046898" y3="0.94626111" z3="4.88104641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83079405" y3="-0.46571966" z3="6.0073071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34854751" y3="-1.10803801" z3="8.3949395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26408731" y3="-1.72258931" z3="8.32021608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37395777" y3="-0.60731973" z3="9.38751302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1536913" y3="-2.08211537" z3="8.36828596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18841547" y3="-2.62949211" z3="7.40743113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27806697" y3="-2.8364818" z3="9.17203961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20485879" y3="-1.39714654" z3="8.51022833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27062447" y3="-0.90992703" z3="9.50501003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25795132" y3="-0.58439951" z3="7.76412223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41722137" y3="-2.31378981" z3="8.31728479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3385792" y3="-1.70047981" z3="8.33646032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36856953" y3="-2.76179963" z3="7.30651419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.54733859" y3="-3.42955133" z3="9.35417427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.57536029" y3="-3.01498853" z3="10.37916258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.69671667" y3="-4.13096861" z3="9.30372084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.47279428" y3="-4.0147462" z3="9.20209589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45734119" y3="-1.52008533" z3="5.74933372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3727751" y3="-0.09270886" z3="7.28659746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69921251" y3="0.76984863" z3="7.3553523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17436495" y3="2.01972027" z3="6.92892182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.43864167" y3="2.8288306" z3="6.79841869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.14660868" y3="2.45515127" z3="7.22702941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.30413441" y3="1.53410091" z3="5.94479765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67511225" y3="1.00970277" z3="7.96120042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.62658272" y3="1.49422696" z3="8.95668436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.41296218" y3="0.19027644" z3="8.05770882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.30508025" y3="0.39781163" z3="7.62402041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.3116896" y3="-0.00311087" z3="6.59423188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11130091" y3="-0.46035493" z3="8.28859567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17706076" y3="1.40560442" z3="7.77796101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.08927097" y3="2.41044189" z3="7.0753503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.68912955" y3="1.38847989" z3="8.78738671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5463,-1.4852,1.5641;-3.5532,-1.9389,1.6094;-1.8507,-2.2511,1.1738;-2.5876,-.6612,.8262;-2.1201,-.9788,2.9404;-1.0936,-.5657,2.8792;-2.09,-1.8189,3.6545;-3.0612,.0821,3.5112;-4.0732,-.3535,3.5844;-3.1193,.937,2.8072;-2.6559,.5828,4.8938;-3.2735,1.4572,5.1826;-1.6105,.9463,4.881;-2.8308,-.4657,6.0073;-2.3485,-1.108,8.3949;-3.2641,-1.7226,8.3202;-2.374,-.6073,9.3875;-1.1537,-2.0821,8.3683;-1.1884,-2.6295,7.4074;-1.2781,-2.8365,9.172;.2049,-1.3971,8.5102;.2706,-.9099,9.505;.258,-.5844,7.7641;1.4172,-2.3138,8.3173;2.3386,-1.7005,8.3365;1.3686,-2.7618,7.3065;1.5473,-3.4296,9.3542;1.5754,-3.015,10.3792;.6967,-4.131,9.3037;2.4728,-4.0147,9.2021;-3.4573,-1.5201,5.7493;-2.3728,-.0927,7.2866;-1.6992,.7698,7.3554;-7.1744,2.0197,6.9289;-6.4386,2.8288,6.7984;-8.1466,2.4552,7.227;-7.3041,1.5341,5.9448;-6.6751,1.0097,7.9612;-6.6266,1.4942,8.9567;-7.413,.1903,8.0577;-5.3051,.3978,7.624;-5.3117,-.0031,6.5942;-5.1113,-.4604,8.2886;-4.1771,1.4056,7.778;-4.0893,2.4104,7.0754;-3.6891,1.3885,8.7874;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722921682809</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004047314458 0.000443362305 0.034712310149 0.008511451455</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003782047 0.000032409 0.000074201 0.000126683 0.000247877 0.000316882 0.000470790 0.000644758 0.000846414 0.001320870 0.001481092 0.002522592 0.002895583 0.003223012 0.003825564 0.004128812 0.005385003 0.005486900 0.005575986 0.006604582 0.008012453 0.010634261 0.011289345 0.014326569 0.017462383 0.019036270 0.020796101 0.024083654 0.027311805 0.029796600 0.030886007 0.032706752 0.033119840 0.034179939 0.035886634 0.039511043 0.042865654 0.046458558 0.047326309 0.048423036 0.050103818 0.050601924 0.052131052 0.052603984 0.053239190 0.055271377 0.057313296 0.058934209 0.060300055 0.065404092 0.066267585 0.070271813 0.072089173 0.075252424 0.076188120 0.077089855 0.077748048 0.081436143 0.082224068 0.088083063 0.091549516 0.093372642 0.098432475 0.100119272 0.110326294 0.112813805 0.113296292 0.113771937 0.119162328 0.127737696 0.135496385 0.136391720 0.139584131 0.140240226 0.147291604 0.153432984 0.154367137 0.160233952 0.170231525 0.175025677 0.178634455 0.184473432 0.193910699 0.202837652 0.212087593 0.215089664 0.218579826 0.239030872 0.249428765 0.261030002 0.296453197 0.310004581 0.339912232 0.377310586 0.406808524 0.459673654 0.498665467 0.522315398 0.565122171 0.597276465 0.616948555 0.633370752 0.674329336 0.729071695 0.740178474 0.752647845 0.757084294 0.773100028 0.776449042 0.781260881 0.782128513 0.785026789 0.789348503 0.801022343 0.810853149 0.819326561 0.820917083 0.825680042 0.844159508 0.850118037 0.853180470 0.867855647 0.892537528 0.895240482 0.899755953 0.908504530 0.913560849 0.917878623 0.920222926 0.968754182 1.348204019 1.456410715</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.54165952" y3="-1.48564026" z3="1.56663527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5487794" y3="-1.93908149" z3="1.60995966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.84493668" y3="-2.25297999" z3="1.18138969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.58028835" y3="-0.66423437" z3="0.82578121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12030208" y3="-0.97479055" z3="2.94269379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09400704" y3="-0.56092805" z3="2.88362415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09173814" y3="-1.81279384" z3="3.6591396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.06446414" y3="0.08647627" z3="3.50765386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07586816" y3="-0.35071506" z3="3.57952246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12197884" y3="0.93939094" z3="2.80118192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66433948" y3="0.5910752" z3="4.89028003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28783052" y3="1.46215203" z3="5.1766466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62094875" y3="0.96047392" z3="4.87926414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83624966" y3="-0.4578621" z3="6.00385065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34364276" y3="-1.10710048" z3="8.38731541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26049449" y3="-1.7193194" z3="8.310852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3682013" y3="-0.60748938" z3="9.38052127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15100374" y3="-2.0836974" z3="8.36083513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18492515" y3="-2.62914686" z3="7.39884733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27812372" y3="-2.83942677" z3="9.16289832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20830241" y3="-1.40130359" z3="8.50634629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27148538" y3="-0.91306185" z3="9.50078946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26510841" y3="-0.58959681" z3="7.75945812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41931108" y3="-2.32071479" z3="8.31893115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34208667" y3="-1.70965187" z3="8.34147279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37375508" y3="-2.76951791" z3="7.308356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.54164579" y3="-3.43566801" z3="9.35762369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.56541319" y3="-3.01988091" z3="10.38222723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.68933543" y3="-4.13475284" z3="9.30373624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.46625779" y3="-4.02353835" z3="9.21096684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47167834" y3="-1.50808093" z3="5.74823307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36500832" y3="-0.09111714" z3="7.27970235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69040764" y3="0.77019663" z3="7.34780525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.1761074" y3="2.00593741" z3="6.91990159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.4472617" y3="2.82189032" z3="6.78793227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.15657456" y3="2.43426902" z3="7.2047121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.29126056" y3="1.50796098" z3="5.93924377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67569746" y3="1.01176086" z3="7.96724637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.63545267" y3="1.5090944" z3="8.95736022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.40915757" y3="0.18870067" z3="8.06975553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.30075813" y3="0.4027102" z3="7.64408216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.30192096" y3="-0.01609929" z3="6.62080803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.1036119" y3="-0.44360045" z3="8.32330798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17782822" y3="1.41744974" z3="7.78524007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09880429" y3="2.41894288" z3="7.07699227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6753584" y3="1.40376549" z3="8.78676493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5417,-1.4856,1.5666;-3.5488,-1.9391,1.61;-1.8449,-2.253,1.1814;-2.5803,-.6642,.8258;-2.1203,-.9748,2.9427;-1.094,-.5609,2.8836;-2.0917,-1.8128,3.6591;-3.0645,.0865,3.5077;-4.0759,-.3507,3.5795;-3.122,.9394,2.8012;-2.6643,.5911,4.8903;-3.2878,1.4622,5.1766;-1.6209,.9605,4.8793;-2.8362,-.4579,6.0039;-2.3436,-1.1071,8.3873;-3.2605,-1.7193,8.3109;-2.3682,-.6075,9.3805;-1.151,-2.0837,8.3608;-1.1849,-2.6291,7.3988;-1.2781,-2.8394,9.1629;.2083,-1.4013,8.5063;.2715,-.9131,9.5008;.2651,-.5896,7.7595;1.4193,-2.3207,8.3189;2.3421,-1.7097,8.3415;1.3738,-2.7695,7.3084;1.5416,-3.4357,9.3576;1.5654,-3.0199,10.3822;.6893,-4.1348,9.3037;2.4663,-4.0235,9.211;-3.4717,-1.5081,5.7482;-2.365,-.0911,7.2797;-1.6904,.7702,7.3478;-7.1761,2.0059,6.9199;-6.4473,2.8219,6.7879;-8.1566,2.4343,7.2047;-7.2913,1.508,5.9392;-6.6757,1.0118,7.9672;-6.6355,1.5091,8.9574;-7.4092,.1887,8.0698;-5.3008,.4027,7.6441;-5.3019,-.0161,6.6208;-5.1036,-.4436,8.3233;-4.1778,1.4174,7.7852;-4.0988,2.4189,7.077;-3.6754,1.4038,8.7868;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722942055383</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001296906368 0.000279497461 0.030333314192 0.008510997832</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003208083 0.000024635 0.000069821 0.000117493 0.000128319 0.000317152 0.000467002 0.000643098 0.000837505 0.001302586 0.001552018 0.002531455 0.002895666 0.003223602 0.003836065 0.004136006 0.005384948 0.005486688 0.005575595 0.006604605 0.008010402 0.010628877 0.011283159 0.014327505 0.017451020 0.019019417 0.020795715 0.024079846 0.027310952 0.029792925 0.030866654 0.032704229 0.033116549 0.034179530 0.035877142 0.039510980 0.042858273 0.046458301 0.047326292 0.048423199 0.050103623 0.050601839 0.052131300 0.052603898 0.053239044 0.055269951 0.057312878 0.058934131 0.060302628 0.065399413 0.066267469 0.070271825 0.072082237 0.075249109 0.076188155 0.077089820 0.077742809 0.081436141 0.082226744 0.088077137 0.091544411 0.093372475 0.098432327 0.100118728 0.110325808 0.112813923 0.113296269 0.113771835 0.119162390 0.127738155 0.135498413 0.136391477 0.139587064 0.140240125 0.147290396 0.153432008 0.154363306 0.160233701 0.170231707 0.175025732 0.178632618 0.184473474 0.193910419 0.202856998 0.212085675 0.215083083 0.218577113 0.239052017 0.249492702 0.261029447 0.296453704 0.310000176 0.339914217 0.377318948 0.406811973 0.459675767 0.498688100 0.522317180 0.565123146 0.597276837 0.616949716 0.633370889 0.674330615 0.729075771 0.740178524 0.752647869 0.757084382 0.773100620 0.776461698 0.781262786 0.782148147 0.785027331 0.789348368 0.801024252 0.810853627 0.819327055 0.820917133 0.825680375 0.844159546 0.850118248 0.853181019 0.867856608 0.892537885 0.895240973 0.899757297 0.908513209 0.913560397 0.917879182 0.920222713 0.968815084 1.348211987 1.456465935</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.5360076" y3="-1.48649331" z3="1.56961865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54351395" y3="-1.93936991" z3="1.61066821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.83790559" y3="-2.25583888" z3="1.1906561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.57114792" y3="-0.66821013" z3="0.82501271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12033794" y3="-0.97024382" z3="2.94542536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09401499" y3="-0.55603587" z3="2.88897765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09415859" y3="-1.80584418" z3="3.66488963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.06758275" y3="0.09215573" z3="3.50323657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07874443" y3="-0.34588564" z3="3.57312733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12332807" y3="0.94293626" z3="2.7939125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67318157" y3="0.60083782" z3="4.88607971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30366896" y3="1.46777765" z3="5.16978265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6324305" y3="0.97771724" z3="4.87669457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84071489" y3="-0.44921721" z3="5.9996005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33894002" y3="-1.10557852" z3="8.37871412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25722399" y3="-1.71535682" z3="8.30055202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36326615" y3="-0.60659343" z3="9.37235672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.14850886" y3="-2.08474851" z3="8.35339632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18117996" y3="-2.62830321" z3="7.39029872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.27916002" y3="-2.84162274" z3="9.15383188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21192662" y3="-1.40558203" z3="8.50329973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27263484" y3="-0.91678063" z3="9.49763594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27340414" y3="-0.59457155" z3="7.75597173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.42110988" y3="-2.32843751" z3="8.32134719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34553991" y3="-1.72000367" z3="8.34668927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37808348" y3="-2.77835353" z3="7.31115639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.53606851" y3="-3.44239786" z3="9.36189974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55708677" y3="-3.02521984" z3="10.38602224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.68174462" y3="-4.13884588" z3="9.30566022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.45937392" y3="-4.03338577" z3="9.21964489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48463805" y3="-1.49504182" z3="5.74606547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35684531" y3="-0.0898967" z3="7.27115646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.6819582" y3="0.77122597" z3="7.33913835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17894887" y3="1.99011067" z3="6.91196882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.45356242" y3="2.80532085" z3="6.76776912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.15881618" y3="2.4198181" z3="7.18995026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.2928141" y3="1.47842364" z3="5.9398996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67581468" y3="1.01330174" z3="7.97433039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.64012974" y3="1.52460939" z3="8.95717253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.4048074" y3="0.18779227" z3="8.08702001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29708764" y3="0.40728187" z3="7.66226203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.2935726" y3="-0.02644824" z3="6.64536055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.09656681" y3="-0.42805844" z3="8.3536413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17976007" y3="1.42925889" z3="7.79165556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1087347" y3="2.42753837" z3="7.0796472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66186795" y3="1.41671538" z3="8.78469134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.536,-1.4865,1.5696;-3.5435,-1.9394,1.6107;-1.8379,-2.2558,1.1907;-2.5711,-.6682,.825;-2.1203,-.9702,2.9454;-1.094,-.556,2.889;-2.0942,-1.8058,3.6649;-3.0676,.0922,3.5032;-4.0787,-.3459,3.5731;-3.1233,.9429,2.7939;-2.6732,.6008,4.8861;-3.3037,1.4678,5.1698;-1.6324,.9777,4.8767;-2.8407,-.4492,5.9996;-2.3389,-1.1056,8.3787;-3.2572,-1.7154,8.3006;-2.3633,-.6066,9.3724;-1.1485,-2.0847,8.3534;-1.1812,-2.6283,7.3903;-1.2792,-2.8416,9.1538;.2119,-1.4056,8.5033;.2726,-.9168,9.4976;.2734,-.5946,7.756;1.4211,-2.3284,8.3213;2.3455,-1.72,8.3467;1.3781,-2.7784,7.3112;1.5361,-3.4424,9.3619;1.5571,-3.0252,10.386;.6817,-4.1388,9.3057;2.4594,-4.0334,9.2196;-3.4846,-1.495,5.7461;-2.3568,-.0899,7.2712;-1.682,.7712,7.3391;-7.1789,1.9901,6.912;-6.4536,2.8053,6.7678;-8.1588,2.4198,7.19;-7.2928,1.4784,5.9399;-6.6758,1.0133,7.9743;-6.6401,1.5246,8.9572;-7.4048,.1878,8.087;-5.2971,.4073,7.6623;-5.2936,-.0264,6.6454;-5.0966,-.4281,8.3536;-4.1798,1.4293,7.7917;-4.1087,2.4275,7.0796;-3.6619,1.4167,8.7847;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722968247333</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001264708502 0.000229201795 0.035667973113 0.008511239136</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.002914666 -0.000311694 0.000043286 0.000125140 0.000128420 0.000317242 0.000475545 0.000644188 0.000823519 0.001296707 0.001773849 0.002534580 0.002895721 0.003235156 0.003874193 0.004192448 0.005386477 0.005489564 0.005575700 0.006608807 0.008009562 0.010631510 0.011282060 0.014327951 0.017449892 0.019014398 0.020798249 0.024079399 0.027310732 0.029792223 0.030863303 0.032703856 0.033117611 0.034179899 0.035876377 0.039510933 0.042858167 0.046458217 0.047326803 0.048422862 0.050103392 0.050601772 0.052130789 0.052603868 0.053238936 0.055269073 0.057312915 0.058934159 0.060302532 0.065397883 0.066267464 0.070272774 0.072081629 0.075246641 0.076188304 0.077089701 0.077741956 0.081436245 0.082227083 0.088076114 0.091543524 0.093372491 0.098433822 0.100118656 0.110325189 0.112813765 0.113296439 0.113772158 0.119162375 0.127738127 0.135501649 0.136392637 0.139588283 0.140239956 0.147290532 0.153431722 0.154365772 0.160240295 0.170234029 0.175039001 0.178631902 0.184473332 0.193910262 0.202890839 0.212091581 0.215089594 0.218574960 0.239043403 0.249503587 0.261028434 0.296453664 0.310001953 0.339913372 0.377406657 0.406817550 0.459675491 0.498753927 0.522317237 0.565122793 0.597276802 0.617005933 0.633371195 0.674329955 0.729085732 0.740178470 0.752647864 0.757084691 0.773100671 0.776461732 0.781262875 0.782269073 0.785027299 0.789348261 0.801024249 0.810854091 0.819333255 0.820926100 0.825680453 0.844161054 0.850118150 0.853181091 0.867856667 0.892537864 0.895241077 0.899759531 0.908513954 0.913559951 0.917878912 0.920222796 0.968811212 1.348244098 1.456466759</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.53148051" y3="-1.4852242" z3="1.5703954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53845272" y3="-1.93926664" z3="1.61040372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.83193746" y3="-2.25419995" z3="1.19395016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.56630247" y3="-0.6683289" z3="0.82455829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.1189141" y3="-0.96604401" z3="2.94590483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09312184" y3="-0.55050055" z3="2.89072429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09277419" y3="-1.80054492" z3="3.6664312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.06878067" y3="0.09550776" z3="3.50017639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07909663" y3="-0.34446887" z3="3.56922809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.124649" y3="0.94509814" z3="2.7896144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6784486" y3="0.60645327" z3="4.88323061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31302182" y3="1.47098375" z3="5.16465791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6391371" y3="0.98673569" z3="4.87591728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84624276" y3="-0.44361046" z3="5.99657254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33703151" y3="-1.10536678" z3="8.37244792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25651124" y3="-1.71300085" z3="8.29247723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36167387" y3="-0.60656482" z3="9.36629531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1483042" y3="-2.08646155" z3="8.34895785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18061662" y3="-2.63084272" z3="7.38626586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.28061001" y3="-2.84241976" z3="9.14993692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21260704" y3="-1.40870283" z3="8.49929529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27218646" y3="-0.91764907" z3="9.49257567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27612761" y3="-0.59954406" z3="7.75021676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.4207822" y3="-2.3335141" z3="8.3215909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34609372" y3="-1.72655638" z3="8.34920039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.3800613" y3="-2.78429771" z3="7.31168326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.5302606" y3="-3.44657371" z3="9.36360464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.54743766" y3="-3.02833679" z3="10.3873657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.67522274" y3="-4.14184325" z3="9.30449314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.45331629" y3="-4.03890475" z3="9.22579891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50153047" y3="-1.48382883" z3="5.74537558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35092743" y3="-0.09018067" z3="7.26453532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67302892" y3="0.76851536" z3="7.3314257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17903817" y3="1.97546697" z3="6.90373649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.46285638" y3="2.80212802" z3="6.7605917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1726928" y3="2.39239854" z3="7.16514094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.27108154" y3="1.44924926" z3="5.93393053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.67464463" y3="1.01719329" z3="7.98216072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6455716" y3="1.54306322" z3="8.95799303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.4001408" y3="0.18970382" z3="8.1036901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29264175" y3="0.41209293" z3="7.68337317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.2857567" y3="-0.03949447" z3="6.67384957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.08981801" y3="-0.41077291" z3="8.38930927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17886673" y3="1.439088" z3="7.79751441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11648768" y3="2.4331091" z3="7.07927608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6458735" y3="1.43071361" z3="8.7820148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5315,-1.4852,1.5704;-3.5385,-1.9393,1.6104;-1.8319,-2.2542,1.194;-2.5663,-.6683,.8246;-2.1189,-.966,2.9459;-1.0931,-.5505,2.8907;-2.0928,-1.8005,3.6664;-3.0688,.0955,3.5002;-4.0791,-.3445,3.5692;-3.1246,.9451,2.7896;-2.6784,.6065,4.8832;-3.313,1.471,5.1647;-1.6391,.9867,4.8759;-2.8462,-.4436,5.9966;-2.337,-1.1054,8.3724;-3.2565,-1.713,8.2925;-2.3617,-.6066,9.3663;-1.1483,-2.0865,8.349;-1.1806,-2.6308,7.3863;-1.2806,-2.8424,9.1499;.2126,-1.4087,8.4993;.2722,-.9176,9.4926;.2761,-.5995,7.7502;1.4208,-2.3335,8.3216;2.3461,-1.7266,8.3492;1.3801,-2.7843,7.3117;1.5303,-3.4466,9.3636;1.5474,-3.0283,10.3874;.6752,-4.1418,9.3045;2.4533,-4.0389,9.2258;-3.5015,-1.4838,5.7454;-2.3509,-.0902,7.2645;-1.673,.7685,7.3314;-7.179,1.9755,6.9037;-6.4629,2.8021,6.7606;-8.1727,2.3924,7.1651;-7.2711,1.4492,5.9339;-6.6746,1.0172,7.9822;-6.6456,1.5431,8.958;-7.4001,.1897,8.1037;-5.2926,.4121,7.6834;-5.2858,-.0395,6.6738;-5.0898,-.4108,8.3893;-4.1789,1.4391,7.7975;-4.1165,2.4331,7.0793;-3.6459,1.4307,8.782;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.722998052208</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002167548104 0.000450813921 0.032317083858 0.008512495328</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003114128 -0.000646671 0.000042953 0.000126427 0.000128700 0.000319034 0.000475430 0.000644004 0.000830174 0.001304522 0.002049202 0.002572162 0.002898866 0.003253926 0.003922649 0.004742857 0.005385730 0.005488244 0.005579340 0.006607322 0.008009096 0.010633362 0.011282333 0.014328363 0.017450235 0.019017766 0.020801190 0.024084137 0.027312061 0.029793501 0.030864015 0.032708721 0.033121222 0.034185204 0.035876240 0.039510932 0.042859177 0.046458197 0.047326131 0.048422836 0.050103382 0.050601764 0.052130391 0.052603858 0.053238707 0.055268479 0.057312047 0.058934728 0.060298833 0.065398325 0.066267649 0.070273493 0.072086739 0.075247369 0.076189599 0.077090016 0.077744209 0.081437453 0.082231779 0.088075711 0.091543359 0.093372594 0.098436295 0.100118832 0.110325055 0.112813706 0.113296947 0.113772309 0.119162407 0.127739671 0.135517499 0.136396447 0.139597280 0.140240353 0.147294511 0.153431722 0.154370524 0.160253417 0.170241945 0.175085598 0.178631932 0.184473348 0.193910561 0.203074317 0.212107717 0.215103773 0.218579134 0.239083264 0.249749578 0.261028288 0.296453832 0.310003610 0.339914645 0.377724668 0.406845499 0.459676609 0.499102844 0.522323794 0.565123074 0.597277220 0.617123510 0.633371478 0.674332823 0.729134513 0.740178749 0.752648147 0.757085782 0.773100998 0.776482217 0.781266151 0.782581406 0.785027445 0.789348285 0.801026765 0.810854158 0.819337211 0.820931827 0.825680502 0.844160907 0.850118292 0.853183651 0.867858224 0.892537917 0.895241133 0.899768466 0.908530910 0.913565893 0.917879099 0.920223043 0.968846826 1.348255316 1.456553963</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.52518435" y3="-1.48506409" z3="1.57264752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53218787" y3="-1.93937345" z3="1.61026077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.82359588" y3="-2.25522697" z3="1.20176136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.55732793" y3="-0.67067761" z3="0.823635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11840611" y3="-0.96125249" z3="2.94828588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09269789" y3="-0.54499964" z3="2.8958125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09409567" y3="-1.79387854" z3="3.67137254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07149471" y3="0.10112215" z3="3.496231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08188665" y3="-0.3391565" z3="3.56232556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12506774" y3="0.94931019" z3="2.78363526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68674222" y3="0.61467883" z3="4.87997062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.32598066" y3="1.47624067" z3="5.16084043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64915753" y3="1.00004422" z3="4.87532303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85252453" y3="-0.43537338" z3="5.99286521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33836509" y3="-1.10170587" z3="8.36641973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25812887" y3="-1.7085487" z3="8.28589224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36190696" y3="-0.60486747" z3="9.36127244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15052234" y3="-2.0836518" z3="8.34033783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18259924" y3="-2.62552936" z3="7.37619586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.28477937" y3="-2.84169128" z3="9.13907341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21172451" y3="-1.40913135" z3="8.49430856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26938305" y3="-0.91741115" z3="9.48736439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28018507" y3="-0.60070195" z3="7.74474204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41801511" y3="-2.33767629" z3="8.32184321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.34491888" y3="-1.73322272" z3="8.35119694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37924386" y3="-2.79024212" z3="7.31264814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.52152753" y3="-3.44923006" z3="9.36621093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.53649952" y3="-3.02927903" z3="10.38929898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.66517045" y3="-4.14277398" z3="9.30571665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.44366924" y3="-4.04394377" z3="9.23232793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50964351" y3="-1.47385826" z3="5.74356583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35447773" y3="-0.08376739" z3="7.26092489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67036081" y3="0.77026983" z3="7.32531641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.17400149" y3="1.958009" z3="6.89575578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.45532712" y3="2.77445167" z3="6.73261877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.15754335" y3="2.38635789" z3="7.15571608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.27706877" y3="1.41879717" z3="5.93867738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.6695512" y3="1.01724262" z3="7.9897209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.64271199" y3="1.55866169" z3="8.95719463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.39359009" y3="0.18990106" z3="8.12372746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28589897" y3="0.41009832" z3="7.70215381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.27732752" y3="-0.05814624" z3="6.69997539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.08355912" y3="-0.40116499" z3="8.42162635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1706311" y3="1.43841665" z3="7.80085451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11739883" y3="2.43083157" z3="7.07832621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63256285" y3="1.43756913" z3="8.78191786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5252,-1.4851,1.5726;-3.5322,-1.9394,1.6103;-1.8236,-2.2552,1.2018;-2.5573,-.6707,.8236;-2.1184,-.9613,2.9483;-1.0927,-.545,2.8958;-2.0941,-1.7939,3.6714;-3.0715,.1011,3.4962;-4.0819,-.3392,3.5623;-3.1251,.9493,2.7836;-2.6867,.6147,4.88;-3.326,1.4762,5.1608;-1.6492,1,4.8753;-2.8525,-.4354,5.9929;-2.3384,-1.1017,8.3664;-3.2581,-1.7085,8.2859;-2.3619,-.6049,9.3613;-1.1505,-2.0837,8.3403;-1.1826,-2.6255,7.3762;-1.2848,-2.8417,9.1391;.2117,-1.4091,8.4943;.2694,-.9174,9.4874;.2802,-.6007,7.7447;1.418,-2.3377,8.3218;2.3449,-1.7332,8.3512;1.3792,-2.7902,7.3126;1.5215,-3.4492,9.3662;1.5365,-3.0293,10.3893;.6652,-4.1428,9.3057;2.4437,-4.0439,9.2323;-3.5096,-1.4739,5.7436;-2.3545,-.0838,7.2609;-1.6704,.7703,7.3253;-7.174,1.958,6.8958;-6.4553,2.7745,6.7326;-8.1575,2.3864,7.1557;-7.2771,1.4188,5.9387;-6.6696,1.0172,7.9897;-6.6427,1.5587,8.9572;-7.3936,.1899,8.1237;-5.2859,.4101,7.7022;-5.2773,-.0581,6.7;-5.0836,-.4012,8.4216;-4.1706,1.4384,7.8009;-4.1174,2.4308,7.0783;-3.6326,1.4376,8.7819;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723038546440</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002765991868 0.000500801661 0.039051215702 0.008513680259</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003134263 -0.000748677 0.000043002 0.000127246 0.000134914 0.000320555 0.000476971 0.000644406 0.000851593 0.001314661 0.002120247 0.002585743 0.002901157 0.003266740 0.003943117 0.005369670 0.005441287 0.005494385 0.005635952 0.006610740 0.008010344 0.010682519 0.011321715 0.014328284 0.017469386 0.019024054 0.020810257 0.024083162 0.027311537 0.029795356 0.030887376 0.032708963 0.033154386 0.034219736 0.035899165 0.039510944 0.042881313 0.046459142 0.047330512 0.048422873 0.050103270 0.050601883 0.052130037 0.052604074 0.053239499 0.055269166 0.057316732 0.058934597 0.060306819 0.065398755 0.066268192 0.070284891 0.072088132 0.075257528 0.076190568 0.077089735 0.077743965 0.081439653 0.082249087 0.088089542 0.091550994 0.093372886 0.098447483 0.100119209 0.110325466 0.112813783 0.113298398 0.113774756 0.119162386 0.127739430 0.135531710 0.136414278 0.139600442 0.140241211 0.147309892 0.153437760 0.154435298 0.160310619 0.170261994 0.175263795 0.178632131 0.184473846 0.193914548 0.203200705 0.212108902 0.215102583 0.218594893 0.239093234 0.249838749 0.261031674 0.296455171 0.310003833 0.339915618 0.378439915 0.406896039 0.459677841 0.499954910 0.522348591 0.565123689 0.597278432 0.617257279 0.633371340 0.674343985 0.729488496 0.740178843 0.752648159 0.757086686 0.773100974 0.776485963 0.781266150 0.783007693 0.785027521 0.789348135 0.801026796 0.810854897 0.819374097 0.820970926 0.825681157 0.844221767 0.850120360 0.853184568 0.867858355 0.892537884 0.895242110 0.899778280 0.908531196 0.913568349 0.917879081 0.920222808 0.968852993 1.348474151 1.456562339</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.52064845" y3="-1.48250568" z3="1.57284809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52712591" y3="-1.93798022" z3="1.6092512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.81776643" y3="-2.25211005" z3="1.20388719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.55240708" y3="-0.66898604" z3="0.8231715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11649429" y3="-0.95701768" z3="2.94839074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09141125" y3="-0.53925347" z3="2.89700082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09170475" y3="-1.78919168" z3="3.67170064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0714026" y3="0.10414519" z3="3.49480205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08132142" y3="-0.33729762" z3="3.55994368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12514903" y3="0.95213612" z3="2.78221367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68844987" y3="0.61808924" z3="4.87873743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.32934864" y3="1.47818007" z3="5.15967742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65166013" y3="1.00501433" z3="4.87503924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85462556" y3="-0.43187441" z3="5.99117664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34227765" y3="-1.09953609" z3="8.363684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26262986" y3="-1.70540936" z3="8.28318711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3646438" y3="-0.60394344" z3="9.35921947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.15521813" y3="-2.08163723" z3="8.33400734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.18862442" y3="-2.62076689" z3="7.36838157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.28911514" y3="-2.84158538" z3="9.13075591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2071628" y3="-1.40796046" z3="8.4883867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26395685" y3="-0.91469616" z3="9.48071003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27762721" y3="-0.60073407" z3="7.73781158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.41216228" y3="-2.33853508" z3="8.31930541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3400282" y3="-1.73569076" z3="8.34970617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.37451465" y3="-2.79251829" z3="7.31071302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.51112201" y3="-3.44861399" z3="9.36561626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.52336992" y3="-3.02698707" z3="10.3880578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.65399539" y3="-4.14103937" z3="9.30361233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.4327914" y3="-4.04479812" z3="9.23553752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.5136736" y3="-1.4694871" z3="5.74226088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35773522" y3="-0.08070479" z3="7.25919146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67178102" y3="0.77200224" z3="7.32353569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.16626084" y3="1.94123396" z3="6.88866466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.45119774" y3="2.76328934" z3="6.71779201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.16189568" y3="2.36483628" z3="7.13277572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.2553312" y3="1.37974595" z3="5.93798078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.66109581" y3="1.02192409" z3="8.00067054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.63027378" y3="1.5817516" z3="8.95711818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.38638814" y3="0.19914551" z3="8.15253989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28018658" y3="0.40713262" z3="7.72078373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.27347991" y3="-0.07639266" z3="6.72608407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.07898401" y3="-0.39318966" z3="8.45263619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16393212" y3="1.43588475" z3="7.80304139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11738436" y3="2.42434346" z3="7.07487192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61907507" y3="1.44204426" z3="8.78140863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5206,-1.4825,1.5728;-3.5271,-1.938,1.6093;-1.8178,-2.2521,1.2039;-2.5524,-.669,.8232;-2.1165,-.957,2.9484;-1.0914,-.5393,2.897;-2.0917,-1.7892,3.6717;-3.0714,.1041,3.4948;-4.0813,-.3373,3.5599;-3.1251,.9521,2.7822;-2.6884,.6181,4.8787;-3.3293,1.4782,5.1597;-1.6517,1.005,4.875;-2.8546,-.4319,5.9912;-2.3423,-1.0995,8.3637;-3.2626,-1.7054,8.2832;-2.3646,-.6039,9.3592;-1.1552,-2.0816,8.334;-1.1886,-2.6208,7.3684;-1.2891,-2.8416,9.1308;.2072,-1.408,8.4884;.264,-.9147,9.4807;.2776,-.6007,7.7378;1.4122,-2.3385,8.3193;2.34,-1.7357,8.3497;1.3745,-2.7925,7.3107;1.5111,-3.4486,9.3656;1.5234,-3.027,10.3881;.654,-4.141,9.3036;2.4328,-4.0448,9.2355;-3.5137,-1.4695,5.7423;-2.3577,-.0807,7.2592;-1.6718,.772,7.3235;-7.1663,1.9412,6.8887;-6.4512,2.7633,6.7178;-8.1619,2.3648,7.1328;-7.2553,1.3797,5.938;-6.6611,1.0219,8.0007;-6.6303,1.5818,8.9571;-7.3864,.1991,8.1525;-5.2802,.4071,7.7208;-5.2735,-.0764,6.7261;-5.079,-.3932,8.4526;-4.1639,1.4359,7.803;-4.1174,2.4243,7.0749;-3.6191,1.442,8.7814;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723077719117</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002749899170 0.000494740739 0.034267385276 0.008513911431</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003123810 -0.000553307 0.000044581 0.000127264 0.000134603 0.000324684 0.000483792 0.000644536 0.000861545 0.001323260 0.002119310 0.002588284 0.002902900 0.003267719 0.003942476 0.005382485 0.005472087 0.005562327 0.006022141 0.006690933 0.008022140 0.010705998 0.011385467 0.014336028 0.017475651 0.019021338 0.020818021 0.024082649 0.027311759 0.029796614 0.030900552 0.032712659 0.033194297 0.034297314 0.035938058 0.039511060 0.042884333 0.046460105 0.047367622 0.048423332 0.050104272 0.050601751 0.052130557 0.052604023 0.053239321 0.055272696 0.057313780 0.058935104 0.060298775 0.065399682 0.066268830 0.070292925 0.072089076 0.075267735 0.076190680 0.077089782 0.077744025 0.081439634 0.082249613 0.088100652 0.091552382 0.093373900 0.098452456 0.100119685 0.110325506 0.112814204 0.113298830 0.113774859 0.119162419 0.127742343 0.135537115 0.136429561 0.139599916 0.140240997 0.147314094 0.153441176 0.154475173 0.160338222 0.170269184 0.175385019 0.178634563 0.184474954 0.193917979 0.203562222 0.212108882 0.215102454 0.218614682 0.239131919 0.250196900 0.261053199 0.296458894 0.310008376 0.339916680 0.379363279 0.406964181 0.459678145 0.500925040 0.522367839 0.565123834 0.597278861 0.617377242 0.633371317 0.674345658 0.729619227 0.740178801 0.752648330 0.757086772 0.773103550 0.776610571 0.781267052 0.783365780 0.785027538 0.789348116 0.801027077 0.810858211 0.819425126 0.821032921 0.825684082 0.844221596 0.850121099 0.853185155 0.867859891 0.892537855 0.895242352 0.899897138 0.908536605 0.913596759 0.917880346 0.920222710 0.968915811 1.348500269 1.456568800</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51574969" y3="-1.4797657" z3="1.57258725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52173957" y3="-1.93640034" z3="1.60766215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.81121804" y3="-2.24874076" z3="1.20531947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.54724036" y3="-0.66669119" z3="0.82238872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11451756" y3="-0.95291715" z3="2.94851585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08966025" y3="-0.53435376" z3="2.89863662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.089917" y3="-1.78490034" z3="3.67225851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07130708" y3="0.10796188" z3="3.49268097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08123247" y3="-0.33370293" z3="3.555801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12370611" y3="0.95597277" z3="2.78002097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69127308" y3="0.62130677" z3="4.87752448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33159338" y3="1.48173132" z3="5.1598136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65398366" y3="1.00676638" z3="4.87735839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86277094" y3="-0.42698232" z3="5.98911739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34857633" y3="-1.09699515" z3="8.36137681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26818995" y3="-1.70343071" z3="8.2800223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37026154" y3="-0.60410789" z3="9.35816442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16103102" y3="-2.07819268" z3="8.32770221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.19489702" y3="-2.6160345" z3="7.36135871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29444161" y3="-2.83966287" z3="9.12306476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20193413" y3="-1.40574312" z3="8.48276208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.257889" y3="-0.91123831" z3="9.47447318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27477161" y3="-0.59954403" z3="7.7312875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.40606661" y3="-2.33818399" z3="8.31693952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33457551" y3="-1.73639987" z3="8.3478146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.3695306" y3="-2.79381538" z3="7.30903116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.50212324" y3="-3.4466292" z3="9.36525633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.51238548" y3="-3.02336944" z3="10.38702043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.64487296" y3="-4.13879091" z3="9.3025414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.42372884" y3="-4.04347781" z3="9.23814488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.52537395" y3="-1.46249349" z3="5.74149776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36806587" y3="-0.07365314" z3="7.2605477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67195639" y3="0.77098315" z3="7.32124657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.15747111" y3="1.92368995" z3="6.88034577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.43817766" y3="2.73569604" z3="6.69250136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1438021" y3="2.35800884" z3="7.1236758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.25604783" y3="1.35103491" z3="5.9415552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.65335359" y3="1.02319446" z3="8.00747783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.62280753" y3="1.60125087" z3="8.95385781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37965041" y3="0.20362831" z3="8.17420063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27208002" y3="0.40198411" z3="7.73968602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.26688928" y3="-0.10039159" z3="6.75336653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.07319773" y3="-0.38561954" z3="8.48690357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14972004" y3="1.42767517" z3="7.80350447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11275378" y3="2.41449087" z3="7.06870308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60719281" y3="1.44730855" z3="8.78217246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5157,-1.4798,1.5726;-3.5217,-1.9364,1.6077;-1.8112,-2.2487,1.2053;-2.5472,-.6667,.8224;-2.1145,-.9529,2.9485;-1.0897,-.5344,2.8986;-2.0899,-1.7849,3.6723;-3.0713,.108,3.4927;-4.0812,-.3337,3.5558;-3.1237,.956,2.78;-2.6913,.6213,4.8775;-3.3316,1.4817,5.1598;-1.654,1.0068,4.8774;-2.8628,-.427,5.9891;-2.3486,-1.097,8.3614;-3.2682,-1.7034,8.28;-2.3703,-.6041,9.3582;-1.161,-2.0782,8.3277;-1.1949,-2.616,7.3614;-1.2944,-2.8397,9.1231;.2019,-1.4057,8.4828;.2579,-.9112,9.4745;.2748,-.5995,7.7313;1.4061,-2.3382,8.3169;2.3346,-1.7364,8.3478;1.3695,-2.7938,7.309;1.5021,-3.4466,9.3653;1.5124,-3.0234,10.387;.6449,-4.1388,9.3025;2.4237,-4.0435,9.2381;-3.5254,-1.4625,5.7415;-2.3681,-.0737,7.2605;-1.672,.771,7.3212;-7.1575,1.9237,6.8803;-6.4382,2.7357,6.6925;-8.1438,2.358,7.1237;-7.256,1.351,5.9416;-6.6534,1.0232,8.0075;-6.6228,1.6013,8.9539;-7.3797,.2036,8.1742;-5.2721,.402,7.7397;-5.2669,-.1004,6.7534;-5.0732,-.3856,8.4869;-4.1497,1.4277,7.8035;-4.1128,2.4145,7.0687;-3.6072,1.4473,8.7822;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723114137664</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002195264477 0.000479998676 0.043755111521 0.008514345481</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003200863 -0.000538449 0.000045140 0.000127425 0.000137763 0.000324371 0.000483638 0.000646983 0.000872432 0.001325708 0.002140236 0.002588175 0.002905437 0.003267802 0.003942553 0.005382478 0.005483427 0.005578873 0.006142536 0.006989256 0.008098643 0.010706702 0.011482670 0.014398832 0.017475674 0.019029141 0.020817371 0.024082313 0.027313635 0.029799256 0.030907820 0.032719468 0.033227140 0.034378844 0.035988986 0.039511345 0.042889014 0.046460550 0.047415557 0.048425214 0.050106954 0.050603307 0.052132476 0.052604006 0.053239377 0.055272053 0.057312754 0.058935194 0.060294999 0.065399557 0.066269054 0.070296117 0.072093376 0.075270020 0.076190701 0.077089793 0.077743838 0.081439665 0.082257352 0.088119993 0.091553069 0.093375171 0.098456388 0.100120307 0.110326591 0.112814811 0.113298919 0.113777546 0.119162877 0.127755658 0.135537560 0.136439070 0.139600307 0.140241443 0.147314253 0.153452772 0.154544486 0.160380646 0.170273031 0.175508108 0.178644436 0.184476215 0.193919452 0.203584777 0.212122265 0.215113456 0.218614281 0.239132782 0.250170445 0.261073296 0.296464607 0.310018906 0.339922575 0.379758618 0.406979736 0.459680681 0.501486583 0.522389679 0.565127175 0.597279297 0.617376142 0.633378098 0.674346986 0.729903904 0.740178766 0.752648346 0.757087291 0.773104086 0.776644081 0.781267083 0.783393649 0.785027607 0.789348348 0.801028348 0.810858239 0.819487803 0.821101220 0.825687708 0.844291242 0.850124474 0.853188949 0.867870153 0.892537998 0.895242494 0.899946701 0.908546124 0.913604423 0.917883449 0.920222929 0.969206523 1.348704346 1.456865772</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51152459" y3="-1.47598108" z3="1.57093026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51722965" y3="-1.93344418" z3="1.60426033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.80567306" y3="-2.2445023" z3="1.20503414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.54227726" y3="-0.66300927" z3="0.82047045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11302771" y3="-0.94890595" z3="2.94755884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08846325" y3="-0.52941192" z3="2.89932043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.08869757" y3="-1.78096741" z3="3.67123346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07132025" y3="0.11117471" z3="3.49071511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08117111" y3="-0.33092679" z3="3.55244904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1233124" y3="0.95935749" z3="2.77819537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69284507" y3="0.62454814" z3="4.87608005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.3343724" y3="1.4841799" z3="5.15782318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65592486" y3="1.01159544" z3="4.87613656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86214727" y3="-0.42531596" z3="5.98705513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35234942" y3="-1.09813602" z3="8.35819432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2720485" y3="-1.70436035" z3="8.27571631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37509788" y3="-0.60621672" z3="9.35551361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16473613" y3="-2.07873041" z3="8.32372335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.19890858" y3="-2.61513183" z3="7.35670192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29797891" y3="-2.84092461" z3="9.11824466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19801778" y3="-1.40606409" z3="8.47901148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.25337633" y3="-0.9102537" z3="9.47011673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27186908" y3="-0.60086564" z3="7.7265787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.40159032" y3="-2.33944615" z3="8.31536123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33056679" y3="-1.73840947" z3="8.34643088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36553083" y3="-2.79625902" z3="7.30798506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.49544196" y3="-3.4466959" z3="9.36512271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.50382279" y3="-3.02215337" z3="10.38636795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.63809007" y3="-4.13868602" z3="9.30167014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.41709213" y3="-4.04396034" z3="9.24045819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.51930444" y3="-1.46168163" z3="5.73745989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37016382" y3="-0.07471011" z3="7.25798992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67518451" y3="0.77090616" z3="7.32002983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.15324946" y3="1.90632785" z3="6.87209388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.43385082" y3="2.71494243" z3="6.66557986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.14351848" y3="2.34582007" z3="7.10202048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.2494777" y3="1.3072798" z3="5.94611973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.64795104" y3="1.03077751" z3="8.0193267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.61277861" y3="1.62804561" z3="8.95259864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37462111" y3="0.21594088" z3="8.20559759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26904566" y3="0.40339882" z3="7.75916866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.26515455" y3="-0.1118983" z3="6.78084696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.07003957" y3="-0.37283682" z3="8.5167877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14770315" y3="1.43050267" z3="7.80736623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1153372" y3="2.41245143" z3="7.06849404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59288088" y3="1.45309271" z3="8.78194854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5115,-1.476,1.5709;-3.5172,-1.9334,1.6043;-1.8057,-2.2445,1.205;-2.5423,-.663,.8205;-2.113,-.9489,2.9476;-1.0885,-.5294,2.8993;-2.0887,-1.781,3.6712;-3.0713,.1112,3.4907;-4.0812,-.3309,3.5524;-3.1233,.9594,2.7782;-2.6928,.6245,4.8761;-3.3344,1.4842,5.1578;-1.6559,1.0116,4.8761;-2.8621,-.4253,5.9871;-2.3523,-1.0981,8.3582;-3.272,-1.7044,8.2757;-2.3751,-.6062,9.3555;-1.1647,-2.0787,8.3237;-1.1989,-2.6151,7.3567;-1.298,-2.8409,9.1182;.198,-1.4061,8.479;.2534,-.9103,9.4701;.2719,-.6009,7.7266;1.4016,-2.3394,8.3154;2.3306,-1.7384,8.3464;1.3655,-2.7963,7.308;1.4954,-3.4467,9.3651;1.5038,-3.0222,10.3864;.6381,-4.1387,9.3017;2.4171,-4.044,9.2405;-3.5193,-1.4617,5.7375;-2.3702,-.0747,7.258;-1.6752,.7709,7.32;-7.1532,1.9063,6.8721;-6.4339,2.7149,6.6656;-8.1435,2.3458,7.102;-7.2495,1.3073,5.9461;-6.648,1.0308,8.0193;-6.6128,1.628,8.9526;-7.3746,.2159,8.2056;-5.269,.4034,7.7592;-5.2652,-.1119,6.7808;-5.07,-.3728,8.5168;-4.1477,1.4305,7.8074;-4.1153,2.4125,7.0685;-3.5929,1.4531,8.7819;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723139963027</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003942555706 0.000638103112 0.032301527667 0.008512942001</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003209302 -0.000981115 0.000047529 0.000127631 0.000137556 0.000334188 0.000484449 0.000649475 0.000872577 0.001329137 0.002152922 0.002588856 0.002912542 0.003272760 0.003942509 0.005384683 0.005536091 0.005646326 0.006138029 0.007249636 0.008399534 0.010706896 0.011618807 0.014648571 0.017476269 0.019034166 0.020817191 0.024087684 0.027323901 0.029812912 0.030936899 0.032718187 0.033241520 0.034437280 0.036087403 0.039511384 0.042950726 0.046460460 0.047467147 0.048432767 0.050111729 0.050605793 0.052137827 0.052603986 0.053239530 0.055274217 0.057313471 0.058938942 0.060293838 0.065401280 0.066269221 0.070295694 0.072092706 0.075271906 0.076194567 0.077090660 0.077747586 0.081441864 0.082254186 0.088153867 0.091554442 0.093383331 0.098459718 0.100122159 0.110330614 0.112816344 0.113298941 0.113779407 0.119163737 0.127795227 0.135547399 0.136439793 0.139610183 0.140241122 0.147314530 0.153469517 0.154655509 0.160407017 0.170274432 0.175507432 0.178648785 0.184477178 0.193922771 0.203710638 0.212192985 0.215192551 0.218625448 0.239130371 0.250218655 0.261121528 0.296466165 0.310058704 0.339943839 0.380050005 0.406984575 0.459689683 0.501832498 0.522399491 0.565134491 0.597279266 0.617475394 0.633388599 0.674355795 0.730200339 0.740179946 0.752648391 0.757089782 0.773108791 0.776808081 0.781267091 0.783397373 0.785027619 0.789348947 0.801033960 0.810858217 0.819505012 0.821114289 0.825690286 0.844290240 0.850125162 0.853194586 0.867881516 0.892538501 0.895243268 0.900008205 0.908550829 0.913635308 0.917892716 0.920223039 0.969732186 1.348918500 1.457731133</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50809895" y3="-1.47147251" z3="1.56962298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51374186" y3="-1.92910829" z3="1.60094477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.8015392" y3="-2.23931447" z3="1.20400442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.53781007" y3="-0.65774098" z3="0.82012618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11178988" y3="-0.94535816" z3="2.94720813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08687756" y3="-0.52655564" z3="2.90093673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.08881111" y3="-1.77820789" z3="3.67009361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07019529" y3="0.11502262" z3="3.48937643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.0802654" y3="-0.32653924" z3="3.54991843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12058122" y3="0.96361147" z3="2.77741701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69320207" y3="0.62639903" z3="4.87555388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33289105" y3="1.48723319" z3="5.15911444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65526909" y3="1.00985045" z3="4.8797111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87336994" y3="-0.42042846" z3="5.98568013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35797774" y3="-1.0969539" z3="8.35631791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27698566" y3="-1.70350186" z3="8.27201277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3803549" y3="-0.60813558" z3="9.35502268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16975665" y3="-2.07711162" z3="8.31904331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.20340789" y3="-2.61352215" z3="7.35181405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30292128" y3="-2.84030731" z3="9.11275987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19356686" y3="-1.40551668" z3="8.47542834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24795826" y3="-0.90934088" z3="9.46634793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2691132" y3="-0.60063739" z3="7.72282605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.39724413" y3="-2.33942937" z3="8.31396438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32612113" y3="-1.73826638" z3="8.34541629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36253361" y3="-2.79727676" z3="7.30697604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.49042267" y3="-3.44557466" z3="9.36498165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.49761996" y3="-3.02003402" z3="10.38579417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.63360253" y3="-4.13817093" z3="9.30136766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.41250005" y3="-4.04248852" z3="9.24190269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.54754774" y3="-1.45002255" z3="5.7390567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37919072" y3="-0.06804058" z3="7.26006005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67049413" y3="0.76662205" z3="7.31771841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.14763754" y3="1.88785914" z3="6.86290632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.42858867" y3="2.69250311" z3="6.64229895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1367899" y3="2.32983868" z3="7.0878878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.24624634" y3="1.27516979" z3="5.94884816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.63955355" y3="1.0350576" z3="8.02473076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6034582" y3="1.65219257" z3="8.94561984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36660751" y3="0.22486843" z3="8.22905722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2610002" y3="0.40098814" z3="7.77606834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.25922237" y3="-0.13337697" z3="6.80638421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.06513954" y3="-0.36236011" z3="8.54908923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13181795" y3="1.42290288" z3="7.80615449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11017539" y3="2.40399079" z3="7.05973931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58533467" y3="1.46114012" z3="8.78058446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5081,-1.4715,1.5696;-3.5137,-1.9291,1.6009;-1.8015,-2.2393,1.204;-2.5378,-.6577,.8201;-2.1118,-.9454,2.9472;-1.0869,-.5266,2.9009;-2.0888,-1.7782,3.6701;-3.0702,.115,3.4894;-4.0803,-.3265,3.5499;-3.1206,.9636,2.7774;-2.6932,.6264,4.8756;-3.3329,1.4872,5.1591;-1.6553,1.0099,4.8797;-2.8734,-.4204,5.9857;-2.358,-1.097,8.3563;-3.277,-1.7035,8.272;-2.3804,-.6081,9.355;-1.1698,-2.0771,8.319;-1.2034,-2.6135,7.3518;-1.3029,-2.8403,9.1128;.1936,-1.4055,8.4754;.248,-.9093,9.4663;.2691,-.6006,7.7228;1.3972,-2.3394,8.314;2.3261,-1.7383,8.3454;1.3625,-2.7973,7.307;1.4904,-3.4456,9.365;1.4976,-3.02,10.3858;.6336,-4.1382,9.3014;2.4125,-4.0425,9.2419;-3.5475,-1.45,5.7391;-2.3792,-.068,7.2601;-1.6705,.7666,7.3177;-7.1476,1.8879,6.8629;-6.4286,2.6925,6.6423;-8.1368,2.3298,7.0879;-7.2462,1.2752,5.9488;-6.6396,1.0351,8.0247;-6.6035,1.6522,8.9456;-7.3666,.2249,8.2291;-5.261,.401,7.7761;-5.2592,-.1334,6.8064;-5.0651,-.3624,8.5491;-4.1318,1.4229,7.8062;-4.1102,2.404,7.0597;-3.5853,1.4611,8.7806;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723161183978</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007407367534 0.000922217840 0.034235033177 0.008511310943</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.003549160 -0.001265296 0.000047473 0.000127617 0.000141313 0.000335063 0.000485572 0.000655770 0.000872567 0.001329697 0.002152631 0.002592534 0.002920825 0.003273607 0.003942483 0.005384699 0.005542007 0.005747970 0.006180260 0.007336566 0.008884950 0.010718496 0.011668463 0.015170465 0.017482170 0.019048525 0.020822171 0.024101569 0.027332471 0.029839761 0.030976077 0.032731906 0.033239901 0.034451086 0.036184516 0.039511391 0.043238704 0.046462302 0.047479069 0.048440754 0.050117318 0.050607703 0.052142405 0.052603965 0.053240509 0.055273046 0.057316578 0.058962592 0.060283256 0.065400103 0.066269168 0.070295475 0.072092122 0.075271269 0.076206516 0.077091696 0.077754334 0.081453947 0.082255928 0.088180742 0.091554015 0.093405569 0.098489349 0.100123611 0.110342228 0.112818713 0.113299123 0.113791733 0.119164785 0.127874784 0.135563191 0.136441375 0.139624281 0.140240960 0.147318668 0.153494181 0.154861582 0.160451907 0.170289923 0.175507389 0.178658545 0.184477943 0.193925397 0.203726941 0.212391897 0.215437037 0.218645779 0.239167851 0.250196386 0.261208785 0.296466216 0.310164874 0.339998556 0.380082935 0.406987790 0.459722497 0.502005874 0.522404056 0.565154590 0.597279281 0.617760261 0.633412113 0.674381940 0.730860664 0.740181877 0.752648484 0.757093486 0.773113137 0.776915218 0.781267228 0.783449841 0.785027914 0.789351985 0.801041817 0.810858230 0.819505897 0.821114185 0.825690813 0.844299613 0.850125557 0.853208496 0.867901810 0.892539534 0.895243385 0.900018113 0.908550774 0.913666442 0.917905118 0.920223070 0.970572045 1.349098957 1.460173074</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50500505" y3="-1.46737159" z3="1.56816926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51083521" y3="-1.9248461" z3="1.59693697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.79763984" y3="-2.23526085" z3="1.20386225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.53287738" y3="-0.65324553" z3="0.81886749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11197102" y3="-0.94196163" z3="2.94704055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08673476" y3="-0.52354657" z3="2.90360954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09103429" y3="-1.7750373" z3="3.66979776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07162637" y3="0.11874938" z3="3.48674865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08195536" y3="-0.3225746" z3="3.54533867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12006975" y3="0.96701994" z3="2.77404269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6979386" y3="0.6310502" z3="4.8737241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33892374" y3="1.49170193" z3="5.15324084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66004156" y3="1.01513271" z3="4.87858857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87493072" y3="-0.41834844" z3="5.98363858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35647116" y3="-1.10099379" z3="8.3507175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27661823" y3="-1.705793" z3="8.26416692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38182997" y3="-0.61074679" z3="9.3489504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16920278" y3="-2.08195816" z3="8.31831057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.20183878" y3="-2.61858579" z3="7.35138126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30396492" y3="-2.84383189" z3="9.11278138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.193616" y3="-1.40979377" z3="8.4752648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24721287" y3="-0.91251436" z3="9.46572216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26953957" y3="-0.60579531" z3="7.72179746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.39714367" y3="-2.34379122" z3="8.31516782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32614066" y3="-1.74283285" z3="8.34700659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.36284062" y3="-2.80201101" z3="7.30836326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48901531" y3="-3.4495383" z3="9.36666053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.49471963" y3="-3.02356084" z3="10.38731393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.63220999" y3="-4.14212289" z3="9.30214715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.41132123" y3="-4.04639834" z3="9.24500683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.5474635" y3="-1.4451701" z3="5.73542642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36953066" y3="-0.07692191" z3="7.25154772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66695115" y3="0.76232511" z3="7.31075945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.15054319" y3="1.87134761" z3="6.85309738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.43317711" y3="2.67284497" z3="6.61724627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.13902868" y3="2.31683304" z3="7.07028539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.24737885" y3="1.24093475" z3="5.95018787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.64206083" y3="1.04083126" z3="8.03115799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.61043601" y3="1.67313845" z3="8.94126437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36507353" y3="0.23061904" z3="8.24682254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2595066" y3="0.40990251" z3="7.79643701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.25084011" y3="-0.14092761" z3="6.83590969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.05784583" y3="-0.33876928" z3="8.58233787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14148495" y3="1.4421754" z3="7.81293044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.12195138" y3="2.41431813" z3="7.06180945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56294649" y3="1.47578162" z3="8.77630392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.505,-1.4674,1.5682;-3.5108,-1.9248,1.5969;-1.7976,-2.2353,1.2039;-2.5329,-.6532,.8189;-2.112,-.942,2.947;-1.0867,-.5235,2.9036;-2.091,-1.775,3.6698;-3.0716,.1187,3.4867;-4.082,-.3226,3.5453;-3.1201,.967,2.774;-2.6979,.6311,4.8737;-3.3389,1.4917,5.1532;-1.66,1.0151,4.8786;-2.8749,-.4183,5.9836;-2.3565,-1.101,8.3507;-3.2766,-1.7058,8.2642;-2.3818,-.6107,9.349;-1.1692,-2.082,8.3183;-1.2018,-2.6186,7.3514;-1.304,-2.8438,9.1128;.1936,-1.4098,8.4753;.2472,-.9125,9.4657;.2695,-.6058,7.7218;1.3971,-2.3438,8.3152;2.3261,-1.7428,8.347;1.3628,-2.802,7.3084;1.489,-3.4495,9.3667;1.4947,-3.0236,10.3873;.6322,-4.1421,9.3021;2.4113,-4.0464,9.245;-3.5475,-1.4452,5.7354;-2.3695,-.0769,7.2515;-1.667,.7623,7.3108;-7.1505,1.8713,6.8531;-6.4332,2.6728,6.6172;-8.139,2.3168,7.0703;-7.2474,1.2409,5.9502;-6.6421,1.0408,8.0312;-6.6104,1.6731,8.9413;-7.3651,.2306,8.2468;-5.2595,.4099,7.7964;-5.2508,-.1409,6.8359;-5.0578,-.3388,8.5823;-4.1415,1.4422,7.8129;-4.122,2.4143,7.0618;-3.5629,1.4758,8.7763;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723184379424</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006071664129 0.000897612183 0.040536621071 0.008513073676</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.005180328 -0.000798446 0.000047696 0.000128599 0.000161280 0.000335055 0.000489437 0.000655936 0.000895578 0.001337037 0.002211255 0.002646024 0.002934656 0.003284115 0.003949080 0.005401199 0.005544293 0.005782682 0.006281783 0.007338449 0.009153879 0.010732969 0.011674229 0.015581062 0.017493443 0.019043429 0.020826505 0.024137405 0.027338532 0.029881792 0.031057664 0.032790735 0.033241343 0.034451230 0.036281818 0.039511872 0.043670445 0.046465223 0.047478182 0.048440216 0.050123703 0.050611075 0.052140937 0.052603952 0.053241780 0.055278024 0.057324996 0.058990929 0.060277908 0.065399809 0.066269457 0.070315846 0.072109609 0.075284517 0.076217957 0.077091432 0.077768027 0.081469271 0.082255326 0.088203596 0.091554048 0.093430750 0.098571777 0.100125119 0.110345335 0.112819592 0.113299119 0.113800984 0.119165175 0.127938403 0.135565767 0.136452387 0.139630686 0.140241222 0.147317539 0.153511640 0.155098703 0.160473766 0.170330867 0.175594865 0.178656306 0.184477864 0.193931576 0.203759729 0.212652570 0.216044586 0.218841654 0.239157003 0.250190994 0.261240208 0.296472515 0.310205962 0.340023866 0.380148917 0.407005041 0.459735116 0.502084074 0.522407239 0.565160875 0.597279293 0.618253109 0.633426226 0.674391044 0.731779559 0.740183903 0.752648517 0.757096070 0.773123549 0.777246832 0.781268138 0.783571981 0.785027968 0.789353540 0.801046205 0.810858234 0.819592939 0.821320375 0.825695987 0.844305379 0.850125999 0.853212266 0.867906324 0.892539822 0.895244045 0.900032811 0.908619487 0.913702567 0.917913155 0.920223002 0.970869716 1.349452445 1.462189604</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50443114" y3="-1.46363572" z3="1.5688676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51111853" y3="-1.91935802" z3="1.59476636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.7973598" y3="-2.23273703" z3="1.20651213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52872338" y3="-0.64945097" z3="0.8194822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11398723" y3="-0.93903786" z3="2.94879471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08823434" y3="-0.52180453" z3="2.90766515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.0952041" y3="-1.77256313" z3="3.67109549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07308493" y3="0.12263842" z3="3.48744043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08400152" y3="-0.31744733" z3="3.54530591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12033952" y3="0.97087021" z3="2.77481437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69939687" y3="0.63481314" z3="4.87433409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.34037556" y3="1.49519357" z3="5.15693166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66159295" y3="1.01926373" z3="4.88032929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87966102" y3="-0.41185521" z3="5.98407322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36236935" y3="-1.09590397" z3="8.35127868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28234929" y3="-1.70063989" z3="8.26612604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38372636" y3="-0.60929623" z3="9.3510923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1752635" y3="-2.07738952" z3="8.31170686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.20885128" y3="-2.61181571" z3="7.34330752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30966547" y3="-2.84218959" z3="9.10378463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18881353" y3="-1.40784704" z3="8.47029797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24175884" y3="-0.91074224" z3="9.46080023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26757729" y3="-0.60380871" z3="7.71708962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.39135618" y3="-2.34402759" z3="8.31268557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32115035" y3="-1.74425121" z3="8.34469845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.35784519" y3="-2.80376083" z3="7.30651023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48077729" y3="-3.44831959" z3="9.36615327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.48615443" y3="-3.02071537" z3="10.3861234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.62321013" y3="-4.14000852" z3="9.30208362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.40244938" y3="-4.04668133" z3="9.24636889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.55447667" y3="-1.43801157" z3="5.73919249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38361087" y3="-0.06423626" z3="7.25737167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66753434" y3="0.76446978" z3="7.31289132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.13998553" y3="1.85094348" z3="6.84341837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.42315072" y3="2.64947252" z3="6.59365436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1327622" y3="2.29820711" z3="7.04870577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.23389242" y3="1.20039813" z3="5.95250217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.62895969" y3="1.04360157" z3="8.03715175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.59365666" y3="1.69399532" z3="8.93491908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35370073" y3="0.23860026" z3="8.2718021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.24946169" y3="0.4058223" z3="7.80689933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.24477829" y3="-0.14905314" z3="6.85153404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.05505848" y3="-0.33748709" z3="8.59612137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11992015" y3="1.42735692" z3="7.81256711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10964166" y3="2.40299927" z3="7.05885455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56473517" y3="1.47588567" z3="8.77978284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5044,-1.4636,1.5689;-3.5111,-1.9194,1.5948;-1.7974,-2.2327,1.2065;-2.5287,-.6495,.8195;-2.114,-.939,2.9488;-1.0882,-.5218,2.9077;-2.0952,-1.7726,3.6711;-3.0731,.1226,3.4874;-4.084,-.3174,3.5453;-3.1203,.9709,2.7748;-2.6994,.6348,4.8743;-3.3404,1.4952,5.1569;-1.6616,1.0193,4.8803;-2.8797,-.4119,5.9841;-2.3624,-1.0959,8.3513;-3.2823,-1.7006,8.2661;-2.3837,-.6093,9.3511;-1.1753,-2.0774,8.3117;-1.2089,-2.6118,7.3433;-1.3097,-2.8422,9.1038;.1888,-1.4078,8.4703;.2418,-.9107,9.4608;.2676,-.6038,7.7171;1.3914,-2.344,8.3127;2.3212,-1.7443,8.3447;1.3578,-2.8038,7.3065;1.4808,-3.4483,9.3662;1.4862,-3.0207,10.3861;.6232,-4.14,9.3021;2.4024,-4.0467,9.2464;-3.5545,-1.438,5.7392;-2.3836,-.0642,7.2574;-1.6675,.7645,7.3129;-7.14,1.8509,6.8434;-6.4232,2.6495,6.5937;-8.1328,2.2982,7.0487;-7.2339,1.2004,5.9525;-6.629,1.0436,8.0372;-6.5937,1.694,8.9349;-7.3537,.2386,8.2718;-5.2495,.4058,7.8069;-5.2448,-.1491,6.8515;-5.0551,-.3375,8.5961;-4.1199,1.4274,7.8126;-4.1096,2.403,7.0589;-3.5647,1.4759,8.7798;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723197160194</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004069076899 0.000775678791 0.043153337647 0.008514085742</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.006162695 -0.001213865 0.000049471 0.000130073 0.000160983 0.000339322 0.000489524 0.000655913 0.000908815 0.001336942 0.002360688 0.002819592 0.003015708 0.003320346 0.003974276 0.005456212 0.005546723 0.005782797 0.006553105 0.007384024 0.009139327 0.010741309 0.011916915 0.015573244 0.017504364 0.019132421 0.020829287 0.024192193 0.027341428 0.029923253 0.031234200 0.032883011 0.033248085 0.034507822 0.036419090 0.039515127 0.043740293 0.046464626 0.047491085 0.048458280 0.050124392 0.050613226 0.052159442 0.052604220 0.053241713 0.055285612 0.057321170 0.059002638 0.060282178 0.065399770 0.066269565 0.070375948 0.072177628 0.075353479 0.076217178 0.077091579 0.077782546 0.081469010 0.082257640 0.088220829 0.091563439 0.093437272 0.098607562 0.100126260 0.110346871 0.112819493 0.113299260 0.113800923 0.119165145 0.127946863 0.135589093 0.136532945 0.139629749 0.140241921 0.147347279 0.153516785 0.155231429 0.160474926 0.170353671 0.175731478 0.178689227 0.184479245 0.193943052 0.203774657 0.212751303 0.216607068 0.219370231 0.239261324 0.250173259 0.261240458 0.296473534 0.310269337 0.340024858 0.381130435 0.407045730 0.459735290 0.502087759 0.522410476 0.565164269 0.597279592 0.618434262 0.633425946 0.674400142 0.732504922 0.740183811 0.752648521 0.757096002 0.773131239 0.777631411 0.781276015 0.783644751 0.785028248 0.789353539 0.801046318 0.810858884 0.819821058 0.822300188 0.825741353 0.844305294 0.850129472 0.853213870 0.867909719 0.892539782 0.895244489 0.900031978 0.908637137 0.913702307 0.917913132 0.920223446 0.970952875 1.349990831 1.462283267</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50387737" y3="-1.45782385" z3="1.56799566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51152499" y3="-1.91150006" z3="1.59145336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.79777082" y3="-2.22775765" z3="1.20591611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52509754" y3="-0.64254987" z3="0.81985071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11501058" y3="-0.93558008" z3="2.94910693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08830366" y3="-0.52044237" z3="2.91040099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09927509" y3="-1.76999704" z3="3.67055608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07291746" y3="0.12745797" z3="3.48686666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.0842132" y3="-0.31152307" z3="3.54483982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11853886" y3="0.97572974" z3="2.77420635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69915484" y3="0.63822995" z3="4.87394131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33962251" y3="1.49884725" z3="5.15584351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66096232" y3="1.02089085" z3="4.88105058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88418106" y3="-0.40878264" z3="5.98298122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36256564" y3="-1.09578794" z3="8.34887423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28389656" y3="-1.69838182" z3="8.26213471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38522175" y3="-0.60812779" z3="9.34837922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17702284" y3="-2.07834707" z3="8.31127953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.21114939" y3="-2.61221215" z3="7.34268866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31241834" y3="-2.84266852" z3="9.10328775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18714688" y3="-1.40927807" z3="8.46959087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24009748" y3="-0.91146297" z3="9.45975381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26648547" y3="-0.60585427" z3="7.7159079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.3887281" y3="-2.34625417" z3="8.31251269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31892008" y3="-1.74719748" z3="8.34443102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.35478754" y3="-2.80627425" z3="7.30651967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.47686466" y3="-3.45010369" z3="9.36630195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.4818551" y3="-3.02203958" z3="10.38606339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.61889348" y3="-4.1412432" z3="9.30198208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.39817658" y3="-4.04894484" z3="9.24723856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.57547474" y3="-1.42766797" z3="5.73851702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37560836" y3="-0.06792682" z3="7.25261368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66184437" y3="0.76199912" z3="7.3085029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.13631954" y3="1.8329355" z3="6.83238463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.41955123" y3="2.62695024" z3="6.57176814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.12673523" y3="2.28223523" z3="7.03335142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.2307668" y3="1.17366194" z3="5.95199832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.62783944" y3="1.04501299" z3="8.03748805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.59611807" y3="1.70869486" z3="8.92446777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35092355" y3="0.24341187" z3="8.28213981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2455147" y3="0.40624145" z3="7.82515397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.23607003" y3="-0.17911999" z3="6.88156893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.04635322" y3="-0.31691451" z3="8.63927471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12332632" y3="1.43702574" z3="7.81276517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11807433" y3="2.40426828" z3="7.05104861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54267944" y3="1.48862695" z3="8.77288978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5039,-1.4578,1.568;-3.5115,-1.9115,1.5915;-1.7978,-2.2278,1.2059;-2.5251,-.6425,.8199;-2.115,-.9356,2.9491;-1.0883,-.5204,2.9104;-2.0993,-1.77,3.6706;-3.0729,.1275,3.4869;-4.0842,-.3115,3.5448;-3.1185,.9757,2.7742;-2.6992,.6382,4.8739;-3.3396,1.4988,5.1558;-1.661,1.0209,4.8811;-2.8842,-.4088,5.983;-2.3626,-1.0958,8.3489;-3.2839,-1.6984,8.2621;-2.3852,-.6081,9.3484;-1.177,-2.0783,8.3113;-1.2111,-2.6122,7.3427;-1.3124,-2.8427,9.1033;.1871,-1.4093,8.4696;.2401,-.9115,9.4598;.2665,-.6059,7.7159;1.3887,-2.3463,8.3125;2.3189,-1.7472,8.3444;1.3548,-2.8063,7.3065;1.4769,-3.4501,9.3663;1.4819,-3.022,10.3861;.6189,-4.1412,9.302;2.3982,-4.0489,9.2472;-3.5755,-1.4277,5.7385;-2.3756,-.0679,7.2526;-1.6618,.762,7.3085;-7.1363,1.8329,6.8324;-6.4196,2.627,6.5718;-8.1267,2.2822,7.0334;-7.2308,1.1737,5.952;-6.6278,1.045,8.0375;-6.5961,1.7087,8.9245;-7.3509,.2434,8.2821;-5.2455,.4062,7.8252;-5.2361,-.1791,6.8816;-5.0464,-.3169,8.6393;-4.1233,1.437,7.8128;-4.1181,2.4043,7.051;-3.5427,1.4886,8.7729;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723204769635</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004314008649 0.000908249275 0.045498853835 0.008510977818</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.006782097 -0.001814642 0.000050600 0.000130122 0.000166125 0.000339402 0.000489569 0.000657067 0.000910969 0.001347733 0.002393680 0.002871665 0.003139232 0.003354694 0.003999228 0.005546057 0.005562714 0.005783939 0.006779720 0.007517411 0.009209963 0.010809174 0.012448696 0.015735282 0.017625476 0.019521018 0.020835297 0.024270611 0.027341633 0.029949169 0.031402012 0.032884438 0.033393973 0.034610100 0.036579603 0.039519387 0.043769755 0.046473682 0.047489452 0.048502106 0.050124442 0.050614548 0.052202582 0.052605244 0.053241294 0.055290349 0.057341624 0.059000967 0.060311523 0.065399560 0.066269936 0.070413037 0.072250441 0.075484460 0.076221214 0.077091309 0.077804826 0.081469374 0.082254430 0.088224641 0.091576833 0.093437325 0.098605259 0.100126519 0.110360497 0.112820130 0.113301066 0.113801404 0.119165140 0.127946871 0.135695243 0.136743577 0.139635889 0.140246062 0.147440610 0.153517403 0.155237547 0.160516040 0.170371309 0.175891453 0.178769798 0.184480792 0.193958471 0.203783741 0.212761433 0.216818162 0.219974718 0.239717206 0.250246750 0.261270170 0.296486473 0.310732735 0.340070493 0.382622781 0.407076466 0.459747281 0.502096909 0.522413060 0.565185418 0.597281920 0.618482271 0.633432187 0.674444831 0.732640644 0.740184515 0.752648561 0.757096276 0.773140887 0.778398838 0.781306147 0.783667418 0.785030905 0.789355014 0.801049387 0.810861025 0.819942420 0.823762109 0.825881658 0.844310776 0.850137618 0.853234834 0.867925588 0.892539797 0.895245518 0.900047138 0.908637517 0.913703356 0.917920195 0.920223499 0.971567188 1.350357025 1.463126392</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50496524" y3="-1.45244661" z3="1.56603604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51383664" y3="-1.90349813" z3="1.58729732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.80020687" y3="-2.22394597" z3="1.20450856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52274862" y3="-0.63634282" z3="0.81869371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11708793" y3="-0.9327777" z3="2.94842057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08960751" y3="-0.51937489" z3="2.91178668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.10326459" y3="-1.76831092" z3="3.66844452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07390633" y3="0.13144222" z3="3.48630342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08665306" y3="-0.30481404" z3="3.54194326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.116564" y3="0.98061151" z3="2.77448026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70095092" y3="0.64048168" z3="4.87439511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33769207" y3="1.50330656" z3="5.15796864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.661078" y3="1.0187401" z3="4.8828611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88705191" y3="-0.40542722" z3="5.98295622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36776048" y3="-1.09278029" z3="8.34892107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28841375" y3="-1.69613377" z3="8.26362624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38839972" y3="-0.60678645" z3="9.34910653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18183993" y3="-2.07497327" z3="8.30756879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.21643914" y3="-2.60805885" z3="7.33860939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31715929" y3="-2.84036941" z3="9.09866073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18320138" y3="-1.40771742" z3="8.46660483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23627616" y3="-0.90975893" z3="9.45665836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26460458" y3="-0.60457168" z3="7.71279553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38360629" y3="-2.34678192" z3="8.31089397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31471767" y3="-1.74912179" z3="8.3425388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.34941908" y3="-2.80787904" z3="7.30537738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46982566" y3="-3.44967312" z3="9.36597372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.47500887" y3="-3.02056724" z3="10.38530172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.61105344" y3="-4.13984265" z3="9.30207386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.39041678" y3="-4.04989772" z3="9.24792863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.56313345" y3="-1.42788862" z3="5.7391194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38851436" y3="-0.06040352" z3="7.25605871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66456429" y3="0.76182339" z3="7.30761847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.12866664" y3="1.8111557" z3="6.82072205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.41066667" y3="2.59968747" z3="6.54353248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.12002186" y3="2.26635086" z3="7.00938755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.22117538" y3="1.12816308" z3="5.95395232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61943975" y3="1.04898991" z3="8.04587576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.5887696" y3="1.733517" z3="8.91915684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.34287955" y3="0.25116764" z3="8.3069648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23773484" y3="0.40616617" z3="7.84256341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.23090494" y3="-0.17658598" z3="6.9049531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.04459734" y3="-0.31203758" z3="8.65380652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10842703" y3="1.42913329" z3="7.81673446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11218939" y3="2.39655316" z3="7.0519099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5347876" y3="1.491934" z3="8.7767975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.505,-1.4524,1.566;-3.5138,-1.9035,1.5873;-1.8002,-2.2239,1.2045;-2.5227,-.6363,.8187;-2.1171,-.9328,2.9484;-1.0896,-.5194,2.9118;-2.1033,-1.7683,3.6684;-3.0739,.1314,3.4863;-4.0867,-.3048,3.5419;-3.1166,.9806,2.7745;-2.701,.6405,4.8744;-3.3377,1.5033,5.158;-1.6611,1.0187,4.8829;-2.8871,-.4054,5.983;-2.3678,-1.0928,8.3489;-3.2884,-1.6961,8.2636;-2.3884,-.6068,9.3491;-1.1818,-2.075,8.3076;-1.2164,-2.6081,7.3386;-1.3172,-2.8404,9.0987;.1832,-1.4077,8.4666;.2363,-.9098,9.4567;.2646,-.6046,7.7128;1.3836,-2.3468,8.3109;2.3147,-1.7491,8.3425;1.3494,-2.8079,7.3054;1.4698,-3.4497,9.366;1.475,-3.0206,10.3853;.6111,-4.1398,9.3021;2.3904,-4.0499,9.2479;-3.5631,-1.4279,5.7391;-2.3885,-.0604,7.2561;-1.6646,.7618,7.3076;-7.1287,1.8112,6.8207;-6.4107,2.5997,6.5435;-8.12,2.2664,7.0094;-7.2212,1.1282,5.954;-6.6194,1.049,8.0459;-6.5888,1.7335,8.9192;-7.3429,.2512,8.307;-5.2377,.4062,7.8426;-5.2309,-.1766,6.905;-5.0446,-.312,8.6538;-4.1084,1.4291,7.8167;-4.1122,2.3966,7.0519;-3.5348,1.4919,8.7768;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723219752493</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006478275951 0.001010859930 0.036713157900 0.008511512113</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.007422751 -0.001679867 0.000052070 0.000130137 0.000168851 0.000339389 0.000489683 0.000656966 0.000912956 0.001352023 0.002395240 0.002873894 0.003157718 0.003364788 0.004005433 0.005546023 0.005602930 0.005784532 0.006817782 0.007519149 0.009237718 0.010820855 0.012656252 0.016051082 0.017721850 0.020021846 0.020836064 0.024367361 0.027341817 0.029958699 0.031421700 0.032934422 0.033768298 0.034739834 0.036685226 0.039521138 0.044091567 0.046500978 0.047512318 0.048535637 0.050124662 0.050617494 0.052253258 0.052606401 0.053241408 0.055301757 0.057395040 0.059003334 0.060457242 0.065400936 0.066272253 0.070425861 0.072268737 0.075539579 0.076238242 0.077091258 0.077806092 0.081479265 0.082252417 0.088224315 0.091584670 0.093459574 0.098637978 0.100126617 0.110379537 0.112821636 0.113302327 0.113812344 0.119165431 0.127957529 0.135804367 0.137029789 0.139656873 0.140254070 0.147543096 0.153517508 0.155239064 0.160591079 0.170371547 0.175895547 0.178814405 0.184481100 0.193966241 0.203911907 0.212763439 0.216841055 0.220088256 0.239901104 0.250227122 0.261357097 0.296534297 0.311446573 0.340175007 0.383850190 0.407095616 0.459773887 0.502196332 0.522417001 0.565214769 0.597287985 0.619184102 0.633436128 0.674506732 0.732641481 0.740188422 0.752648559 0.757097090 0.773143131 0.778858253 0.781351457 0.783789419 0.785040716 0.789356353 0.801066864 0.810861307 0.819966432 0.824408557 0.826070002 0.844311423 0.850146133 0.853263161 0.867945363 0.892539685 0.895257732 0.900046647 0.908766507 0.913741830 0.917941088 0.920224553 0.972547547 1.350918609 1.465509558</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.50690517" y3="-1.44598462" z3="1.56366936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51706723" y3="-1.89431852" z3="1.58203051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.8034546" y3="-2.21885666" z3="1.20241943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52084693" y3="-0.62885248" z3="0.81730998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12013919" y3="-0.9292622" z3="2.94760617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09171662" y3="-0.51811527" z3="2.9129007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.10911511" y3="-1.76607785" z3="3.66637455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07491844" y3="0.13619807" z3="3.48634548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08796583" y3="-0.29899447" z3="3.54276375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11698964" y3="0.98556491" z3="2.77485408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69957144" y3="0.64434546" z3="4.87408834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.3375453" y3="1.50662099" z3="5.15862855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6601741" y3="1.02423613" z3="4.88170206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88849742" y3="-0.40133" z3="5.9828052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36738127" y3="-1.09250431" z3="8.3477003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2893281" y3="-1.69391504" z3="8.26027922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38864278" y3="-0.6072904" z3="9.34832332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18288437" y3="-2.07616504" z3="8.30721771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.21781564" y3="-2.60944992" z3="7.33829936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31901839" y3="-2.84115472" z3="9.09844942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18261788" y3="-1.40979003" z3="8.46588533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23566303" y3="-0.9107894" z3="9.45543651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26481786" y3="-0.60750508" z3="7.7112794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38220039" y3="-2.34995229" z3="8.31146058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3138345" y3="-1.75313163" z3="8.34310784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.34806714" y3="-2.81173212" z3="7.30623555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46664641" y3="-3.45207286" z3="9.36745016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.47141867" y3="-3.02208944" z3="10.38642065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60718675" y3="-4.14137574" z3="9.30348986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38671351" y3="-4.05332293" z3="9.25059404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.58538833" y3="-1.4167454" z3="5.74001816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38212122" y3="-0.06031571" z3="7.25478074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65810839" y3="0.76103912" z3="7.30742221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.12547345" y3="1.7904224" z3="6.80786749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.40886345" y3="2.57442896" z3="6.51744968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.11865062" y3="2.24625877" z3="6.98554245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.21660935" y3="1.09285368" z3="5.9550519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61585507" y3="1.05309944" z3="8.04523054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.58439068" y3="1.75068342" z3="8.90514138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.33752109" y3="0.25961372" z3="8.32252855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23303511" y3="0.41004494" z3="7.85563423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.22140757" y3="-0.2004933" z3="6.92904495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.03747786" y3="-0.2893195" z3="8.69051967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10657199" y3="1.43601812" z3="7.81923334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1133691" y3="2.40041362" z3="7.05279484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.52831412" y3="1.4995214" z3="8.7745007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5069,-1.446,1.5637;-3.5171,-1.8943,1.582;-1.8035,-2.2189,1.2024;-2.5208,-.6289,.8173;-2.1201,-.9293,2.9476;-1.0917,-.5181,2.9129;-2.1091,-1.7661,3.6664;-3.0749,.1362,3.4863;-4.088,-.299,3.5428;-3.117,.9856,2.7749;-2.6996,.6443,4.8741;-3.3375,1.5066,5.1586;-1.6602,1.0242,4.8817;-2.8885,-.4013,5.9828;-2.3674,-1.0925,8.3477;-3.2893,-1.6939,8.2603;-2.3886,-.6073,9.3483;-1.1829,-2.0762,8.3072;-1.2178,-2.6094,7.3383;-1.319,-2.8412,9.0984;.1826,-1.4098,8.4659;.2357,-.9108,9.4554;.2648,-.6075,7.7113;1.3822,-2.35,8.3115;2.3138,-1.7531,8.3431;1.3481,-2.8117,7.3062;1.4666,-3.4521,9.3675;1.4714,-3.0221,10.3864;.6072,-4.1414,9.3035;2.3867,-4.0533,9.2506;-3.5854,-1.4167,5.74;-2.3821,-.0603,7.2548;-1.6581,.761,7.3074;-7.1255,1.7904,6.8079;-6.4089,2.5744,6.5174;-8.1187,2.2463,6.9855;-7.2166,1.0929,5.9551;-6.6159,1.0531,8.0452;-6.5844,1.7507,8.9051;-7.3375,.2596,8.3225;-5.233,.41,7.8556;-5.2214,-.2005,6.929;-5.0375,-.2893,8.6905;-4.1066,1.436,7.8192;-4.1134,2.4004,7.0528;-3.5283,1.4995,8.7745;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723233957316</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005772188516 0.000940001924 0.039665439924 0.008512080412</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.007638599 -0.001723244 0.000052844 0.000130680 0.000168742 0.000339810 0.000502914 0.000658568 0.000913024 0.001352485 0.002396440 0.002873890 0.003157468 0.003366996 0.004005191 0.005549549 0.005600543 0.005784660 0.006816597 0.007523391 0.009239266 0.010821722 0.012677985 0.016207870 0.017757855 0.020343893 0.020893723 0.024437240 0.027342110 0.029959051 0.031427079 0.033070223 0.034352969 0.035131169 0.036747203 0.039520970 0.044657522 0.046544604 0.047702591 0.048541503 0.050124670 0.050621152 0.052295600 0.052607391 0.053241551 0.055297973 0.057420831 0.059015055 0.060476646 0.065399941 0.066277197 0.070423424 0.072274578 0.075535275 0.076252969 0.077093097 0.077806068 0.081491021 0.082250549 0.088225354 0.091586675 0.093494841 0.098681075 0.100127393 0.110388447 0.112822046 0.113302142 0.113847753 0.119166199 0.127972368 0.135855477 0.137134559 0.139693008 0.140263501 0.147602799 0.153518668 0.155285650 0.160737419 0.170371197 0.175895879 0.178823433 0.184481125 0.193969699 0.203881379 0.212796030 0.216867289 0.220091044 0.239944752 0.250199330 0.261402571 0.296600417 0.311868674 0.340275656 0.383948220 0.407095060 0.459803201 0.502415052 0.522417042 0.565232295 0.597291002 0.620823365 0.633440912 0.674548779 0.733001327 0.740191636 0.752648767 0.757097251 0.773144328 0.779310707 0.781405853 0.784029849 0.785059675 0.789357907 0.801083795 0.810861961 0.819968533 0.824526655 0.826132092 0.844396752 0.850156198 0.853287929 0.867958516 0.892539956 0.895263997 0.900079693 0.908954569 0.913775065 0.917959205 0.920225871 0.973147116 1.351632280 1.467626075</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51049618" y3="-1.43816033" z3="1.5617222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52205863" y3="-1.88331529" z3="1.57811369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.80917846" y3="-2.21246201" z3="1.19968647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52104763" y3="-0.61941688" z3="0.81723703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12368287" y3="-0.92537067" z3="2.94697089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09424581" y3="-0.51657871" z3="2.91410581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.11492393" y3="-1.76368827" z3="3.66389428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0766839" y3="0.14130853" z3="3.48668372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09056325" y3="-0.29197747" z3="3.54342564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11752164" y3="0.99123353" z3="2.77574732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70090881" y3="0.64795539" z3="4.87473954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33559853" y3="1.51192669" z3="5.15993113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66000526" y3="1.02340337" z3="4.88315127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.89155316" y3="-0.39700597" z3="5.98284701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36935423" y3="-1.08847627" z3="8.34721271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.29197174" y3="-1.68865034" z3="8.26163748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38837776" y3="-0.60343673" z3="9.34796146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18624735" y3="-2.0739615" z3="8.30491108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.22238153" y3="-2.60643247" z3="7.3356249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32372017" y3="-2.83947183" z3="9.09552713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1806974" y3="-1.4105935" z3="8.46437459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23385721" y3="-0.91102548" z3="9.45360634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26562667" y3="-0.60898019" z3="7.70926519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37868754" y3="-2.35337666" z3="8.31212601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31133021" y3="-1.75810123" z3="8.34368268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.34465104" y3="-2.8165405" z3="7.30753783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46078161" y3="-3.45420605" z3="9.36973049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.46554217" y3="-3.02290302" z3="10.38813573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60054183" y3="-4.14255987" z3="9.30617465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38015227" y3="-4.05680364" z3="9.25428125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.57894439" y3="-1.41355061" z3="5.7411621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38643021" y3="-0.0556119" z3="7.25474873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65683477" y3="0.76162873" z3="7.30455475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.11889103" y3="1.76596312" z3="6.79498815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.40254489" y3="2.54533321" z3="6.49160208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.11187801" y3="2.2233936" z3="6.9642571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.20736181" y3="1.05318824" z3="5.95522884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61071756" y3="1.05406926" z3="8.04869625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.58500421" y3="1.77360857" z3="8.89381105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.33198584" y3="0.26572557" z3="8.33867287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22588579" y3="0.4087933" z3="7.87518664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.21280406" y3="-0.20522583" z3="6.9564509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.03420631" y3="-0.28179791" z3="8.71120184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09901585" y3="1.43569402" z3="7.82101152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11762303" y3="2.39499306" z3="7.04389645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.50518815" y3="1.51191915" z3="8.77237348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5105,-1.4382,1.5617;-3.5221,-1.8833,1.5781;-1.8092,-2.2125,1.1997;-2.521,-.6194,.8172;-2.1237,-.9254,2.947;-1.0942,-.5166,2.9141;-2.1149,-1.7637,3.6639;-3.0767,.1413,3.4867;-4.0906,-.292,3.5434;-3.1175,.9912,2.7757;-2.7009,.648,4.8747;-3.3356,1.5119,5.1599;-1.66,1.0234,4.8832;-2.8916,-.397,5.9828;-2.3694,-1.0885,8.3472;-3.292,-1.6887,8.2616;-2.3884,-.6034,9.348;-1.1862,-2.074,8.3049;-1.2224,-2.6064,7.3356;-1.3237,-2.8395,9.0955;.1807,-1.4106,8.4644;.2339,-.911,9.4536;.2656,-.609,7.7093;1.3787,-2.3534,8.3121;2.3113,-1.7581,8.3437;1.3447,-2.8165,7.3075;1.4608,-3.4542,9.3697;1.4655,-3.0229,10.3881;.6005,-4.1426,9.3062;2.3802,-4.0568,9.2543;-3.5789,-1.4136,5.7412;-2.3864,-.0556,7.2547;-1.6568,.7616,7.3046;-7.1189,1.766,6.795;-6.4025,2.5453,6.4916;-8.1119,2.2234,6.9643;-7.2074,1.0532,5.9552;-6.6107,1.0541,8.0487;-6.585,1.7736,8.8938;-7.332,.2657,8.3387;-5.2259,.4088,7.8752;-5.2128,-.2052,6.9565;-5.0342,-.2818,8.7112;-4.099,1.4357,7.821;-4.1176,2.395,7.0439;-3.5052,1.5119,8.7724;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723234383598</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005777016404 0.000994221197 0.044277784654 0.008513547992</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.007773145 -0.002385821 0.000053014 0.000131192 0.000218397 0.000339981 0.000504461 0.000658667 0.000914964 0.001362189 0.002402397 0.002875266 0.003170150 0.003366881 0.004005967 0.005553821 0.005615515 0.005784705 0.006826024 0.007548306 0.009249841 0.010822202 0.012676584 0.016206767 0.017752740 0.020394143 0.021024933 0.024474167 0.027342038 0.029959216 0.031468674 0.033174037 0.034636082 0.036390252 0.037114549 0.039521473 0.045233108 0.046583657 0.048149100 0.048542234 0.050125244 0.050621144 0.052326811 0.052610863 0.053249625 0.055301312 0.057465655 0.059017196 0.060582643 0.065402380 0.066279617 0.070462439 0.072271833 0.075548803 0.076255936 0.077096937 0.077806540 0.081492818 0.082275896 0.088233285 0.091586717 0.093519081 0.098700138 0.100128585 0.110391898 0.112822245 0.113302612 0.113897259 0.119166885 0.127983907 0.135889161 0.137191530 0.139731118 0.140271313 0.147633561 0.153519973 0.155349978 0.160883646 0.170371158 0.175982999 0.178822804 0.184482108 0.193970583 0.203947699 0.212831196 0.216944315 0.220215322 0.239947557 0.250218443 0.261440294 0.296641591 0.312022125 0.340329782 0.383945704 0.407098339 0.459816402 0.502768010 0.522417534 0.565241763 0.597292898 0.623473427 0.633449886 0.674586684 0.733375607 0.740194611 0.752649069 0.757097289 0.773145387 0.779752931 0.781480935 0.784245732 0.785094136 0.789359146 0.801100185 0.810862459 0.819968668 0.824534542 0.826134624 0.844519854 0.850165992 0.853302812 0.867964605 0.892540810 0.895284803 0.900079738 0.909450261 0.913862459 0.917977796 0.920228257 0.973447924 1.353522448 1.468528496</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51654864" y3="-1.43020405" z3="1.55919687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52922068" y3="-1.87279597" z3="1.57454489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.81717771" y3="-2.20544386" z3="1.19532205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52503677" y3="-0.60970156" z3="0.81659425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12839296" y3="-0.92144703" z3="2.94559155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09823587" y3="-0.51453747" z3="2.91330682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.12097846" y3="-1.7613924" z3="3.66067819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.07892396" y3="0.14593411" z3="3.48803906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.0934325" y3="-0.28582477" z3="3.54578257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11952397" y3="0.99656113" z3="2.77789527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6992047" y3="0.6508767" z3="4.87565728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33203869" y3="1.51592363" z3="5.16187481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65784384" y3="1.024849" z3="4.8816603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88961824" y3="-0.39433938" z3="5.98427469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36643242" y3="-1.0869371" z3="8.34822658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.29100496" y3="-1.68450349" z3="8.26333217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38365858" y3="-0.60079703" z3="9.34842175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18582814" y3="-2.0749475" z3="8.30577657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.22337045" y3="-2.60694727" z3="7.33628739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32431161" y3="-2.84020886" z3="9.09628931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18189174" y3="-1.41332698" z3="8.46452622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23567729" y3="-0.91287688" z3="9.45328939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26767096" y3="-0.6125187" z3="7.70877841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37822616" y3="-2.35798341" z3="8.3130941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3118644" y3="-1.76427336" z3="8.34411235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.34326479" y3="-2.82204589" z3="7.3089819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45802443" y3="-3.45783937" z3="9.37181641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.4627316" y3="-3.02539546" z3="10.38974124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.59663252" y3="-4.14480506" z3="9.30846499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.3764852" y3="-4.06203538" z3="9.25760205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.58720908" y3="-1.40788236" z3="5.74323671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37968421" y3="-0.05534795" z3="7.25498206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65219699" y3="0.76294685" z3="7.30501219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.11744544" y3="1.74471548" z3="6.77936231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.40240734" y3="2.51972" z3="6.45946632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1122567" y3="2.20468549" z3="6.9359856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.20248529" y3="1.00891046" z3="5.95510288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60771118" y3="1.05919235" z3="8.04738508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.581264" y3="1.7890163" z3="8.87957424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.32643003" y3="0.27284545" z3="8.35340831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22175552" y3="0.41639211" z3="7.88289985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.20462359" y3="-0.21950739" z3="6.9738774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02702822" y3="-0.25800362" z3="8.73854628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09773724" y3="1.44398012" z3="7.82460398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11295212" y3="2.4022242" z3="7.05317215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.51246779" y3="1.51555239" z3="8.77211344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5165,-1.4302,1.5592;-3.5292,-1.8728,1.5745;-1.8172,-2.2054,1.1953;-2.525,-.6097,.8166;-2.1284,-.9214,2.9456;-1.0982,-.5145,2.9133;-2.121,-1.7614,3.6607;-3.0789,.1459,3.488;-4.0934,-.2858,3.5458;-3.1195,.9966,2.7779;-2.6992,.6509,4.8757;-3.332,1.5159,5.1619;-1.6578,1.0248,4.8817;-2.8896,-.3943,5.9843;-2.3664,-1.0869,8.3482;-3.291,-1.6845,8.2633;-2.3837,-.6008,9.3484;-1.1858,-2.0749,8.3058;-1.2234,-2.6069,7.3363;-1.3243,-2.8402,9.0963;.1819,-1.4133,8.4645;.2357,-.9129,9.4533;.2677,-.6125,7.7088;1.3782,-2.358,8.3131;2.3119,-1.7643,8.3441;1.3433,-2.822,7.309;1.458,-3.4578,9.3718;1.4627,-3.0254,10.3897;.5966,-4.1448,9.3085;2.3765,-4.062,9.2576;-3.5872,-1.4079,5.7432;-2.3797,-.0553,7.255;-1.6522,.7629,7.305;-7.1174,1.7447,6.7794;-6.4024,2.5197,6.4595;-8.1123,2.2047,6.936;-7.2025,1.0089,5.9551;-6.6077,1.0592,8.0474;-6.5813,1.789,8.8796;-7.3264,.2728,8.3534;-5.2218,.4164,7.8829;-5.2046,-.2195,6.9739;-5.027,-.258,8.7385;-4.0977,1.444,7.8246;-4.113,2.4022,7.0532;-3.5125,1.5156,8.7721;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723224847478</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007039055244 0.001144048447 0.030623971830 0.008514006832</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.008339864 -0.002558184 0.000053711 0.000132661 0.000220877 0.000339878 0.000516887 0.000658198 0.000920324 0.001377182 0.002412850 0.002877496 0.003180295 0.003366648 0.004005888 0.005554998 0.005631379 0.005784829 0.006824099 0.007559472 0.009288206 0.010830446 0.012674811 0.016222653 0.017782232 0.020392355 0.021129284 0.024491915 0.027342345 0.029959633 0.031500193 0.033222910 0.034743841 0.036632460 0.039293714 0.039535185 0.045662586 0.046610412 0.048504953 0.049156182 0.050126775 0.050621065 0.052361288 0.052617950 0.053292603 0.055317401 0.057503055 0.059018770 0.060630213 0.065419970 0.066280830 0.070597692 0.072273970 0.075567950 0.076255788 0.077102860 0.077815687 0.081493815 0.082375576 0.088257778 0.091586756 0.093526254 0.098701033 0.100129154 0.110391733 0.112822177 0.113305068 0.113985225 0.119167139 0.127990801 0.135907459 0.137199751 0.139776508 0.140279998 0.147645665 0.153522502 0.155425356 0.161071245 0.170370714 0.176146670 0.178835958 0.184484061 0.193970777 0.204814220 0.212845728 0.217095975 0.220369306 0.239984685 0.250186815 0.261445448 0.296652348 0.312015865 0.340348123 0.384206093 0.407114880 0.459819576 0.503182573 0.522422528 0.565248583 0.597293652 0.626965360 0.633477799 0.674619246 0.733881831 0.740195163 0.752649421 0.757097275 0.773147199 0.780321666 0.781657374 0.784425244 0.785149954 0.789359441 0.801114032 0.810862561 0.819971541 0.824549553 0.826144372 0.845458463 0.850196168 0.853321004 0.867970964 0.892543039 0.895296055 0.900114319 0.909849596 0.913922791 0.917996019 0.920229876 0.973535497 1.356550408 1.468532378</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.52562913" y3="-1.42170115" z3="1.5576591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53980109" y3="-1.86094934" z3="1.57262656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.82912607" y3="-2.19836897" z3="1.19127032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.53193146" y3="-0.59934428" z3="0.81704333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.13427826" y3="-0.91771093" z3="2.94491543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.10300499" y3="-0.51368161" z3="2.91208238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.12799373" y3="-1.75961199" z3="3.65772093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08065301" y3="0.15118331" z3="3.49169038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09610479" y3="-0.27800153" z3="3.55179198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12133009" y3="1.00292673" z3="2.78301271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69604428" y3="0.65373895" z3="4.87878282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.32572506" y3="1.52030695" z3="5.16866477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65328552" y3="1.02449095" z3="4.88325752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88889103" y3="-0.38974336" z3="5.98732493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.36851265" y3="-1.07988643" z3="8.35235926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.29369412" y3="-1.67661006" z3="8.27085629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.38151118" y3="-0.59479777" z3="9.35317653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18942581" y3="-2.06965532" z3="8.30493738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.22991776" y3="-2.6003725" z3="7.33479811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32812354" y3="-2.83602476" z3="9.09440742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18045178" y3="-1.41211972" z3="8.46279474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.23584302" y3="-0.91103482" z3="9.45111374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26918312" y3="-0.61212676" z3="7.70638948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37401851" y3="-2.36087185" z3="8.31267564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.30940293" y3="-1.76981384" z3="8.34230039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.33760613" y3="-2.82683306" z3="7.30947339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45125631" y3="-3.45895931" z3="9.37355173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.45731849" y3="-3.02460836" z3="10.39064807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58831969" y3="-4.14410923" z3="9.31179312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36823718" y3="-4.06560919" z3="9.26029578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.58288386" y3="-1.40429516" z3="5.7480629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38587876" y3="-0.04624058" z3="7.26018219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.6521302" y3="0.76742701" z3="7.30836524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.1071819" y3="1.71974466" z3="6.76385399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.39156693" y3="2.48909603" z3="6.43706505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.1030154" y3="2.17969654" z3="6.91209382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.19102056" y3="0.98063932" z3="5.95030316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60098191" y3="1.05661096" z3="8.04357043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.57755237" y3="1.80774103" z3="8.86107553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.32081128" y3="0.27784925" z3="8.36281404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21413341" y3="0.40955616" z3="7.89578609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.19429966" y3="-0.22904303" z3="6.99244283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02658255" y3="-0.25847662" z3="8.75202275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08713678" y3="1.43598954" z3="7.82472759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11523645" y3="2.39198022" z3="7.04187765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.49021038" y3="1.52208019" z3="8.77423073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5256,-1.4217,1.5577;-3.5398,-1.8609,1.5726;-1.8291,-2.1984,1.1913;-2.5319,-.5993,.817;-2.1343,-.9177,2.9449;-1.103,-.5137,2.9121;-2.128,-1.7596,3.6577;-3.0807,.1512,3.4917;-4.0961,-.278,3.5518;-3.1213,1.0029,2.783;-2.696,.6537,4.8788;-3.3257,1.5203,5.1687;-1.6533,1.0245,4.8833;-2.8889,-.3897,5.9873;-2.3685,-1.0799,8.3524;-3.2937,-1.6766,8.2709;-2.3815,-.5948,9.3532;-1.1894,-2.0697,8.3049;-1.2299,-2.6004,7.3348;-1.3281,-2.836,9.0944;.1805,-1.4121,8.4628;.2358,-.911,9.4511;.2692,-.6121,7.7064;1.374,-2.3609,8.3127;2.3094,-1.7698,8.3423;1.3376,-2.8268,7.3095;1.4513,-3.459,9.3736;1.4573,-3.0246,10.3906;.5883,-4.1441,9.3118;2.3682,-4.0656,9.2603;-3.5829,-1.4043,5.7481;-2.3859,-.0462,7.2602;-1.6521,.7674,7.3084;-7.1072,1.7197,6.7639;-6.3916,2.4891,6.4371;-8.103,2.1797,6.9121;-7.191,.9806,5.9503;-6.601,1.0566,8.0436;-6.5776,1.8077,8.8611;-7.3208,.2778,8.3628;-5.2141,.4096,7.8958;-5.1943,-.229,6.9924;-5.0266,-.2585,8.752;-4.0871,1.436,7.8247;-4.1152,2.392,7.0419;-3.4902,1.5221,8.7742;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723240369958</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005572781475 0.000979272558 0.045790475027 0.008509534943</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.009602468 -0.001706605 0.000054126 0.000133365 0.000236070 0.000339949 0.000517210 0.000657936 0.000928497 0.001388442 0.002415051 0.002877851 0.003184968 0.003368310 0.004006957 0.005557496 0.005634778 0.005785510 0.006835210 0.007559760 0.009294824 0.010844091 0.012674191 0.016245228 0.017825791 0.020441476 0.021134165 0.024490413 0.027343396 0.029965468 0.031531432 0.033252690 0.034965933 0.036662947 0.039517673 0.041041394 0.045826754 0.046613469 0.048503042 0.049993677 0.050157799 0.050624454 0.052377713 0.052624902 0.053357839 0.055330947 0.057533872 0.059019794 0.060756335 0.065427060 0.066280664 0.070751166 0.072318457 0.075571246 0.076256398 0.077101723 0.077820665 0.081501398 0.082454119 0.088309003 0.091588627 0.093528704 0.098787918 0.100130238 0.110392297 0.112822174 0.113311832 0.114102699 0.119167119 0.128000103 0.135925037 0.137199248 0.139820004 0.140287827 0.147647358 0.153524569 0.155471432 0.161103387 0.170382875 0.176574948 0.178892437 0.184484624 0.193971256 0.205692785 0.212850273 0.217242953 0.220582858 0.240119697 0.250178213 0.261460757 0.296655184 0.312084041 0.340349181 0.384468496 0.407126698 0.459822727 0.503270568 0.522422697 0.565253312 0.597293962 0.630115602 0.633545230 0.674635097 0.734102862 0.740195512 0.752649705 0.757097297 0.773148462 0.780584618 0.781915159 0.784422027 0.785161663 0.789359343 0.801134042 0.810869141 0.819985208 0.824778007 0.826283167 0.846804051 0.850244079 0.853331289 0.867978739 0.892543549 0.895301123 0.900113457 0.910136288 0.914011983 0.918008754 0.920230173 0.973587033 1.358896847 1.468819716</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.53698421" y3="-1.41301516" z3="1.55624811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55219806" y3="-1.84959071" z3="1.57318937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.843659" y3="-2.19048685" z3="1.18568209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.54345095" y3="-0.58865731" z3="0.81797494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.14050031" y3="-0.9133395" z3="2.94357901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.10816446" y3="-0.51214443" z3="2.90902185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.13472362" y3="-1.75675858" z3="3.6545993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08291591" y3="0.15701424" z3="3.49443947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09907004" y3="-0.27009079" z3="3.55736111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12380566" y3="1.00952839" z3="2.78659659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69369431" y3="0.65735082" z3="4.88098173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31948349" y3="1.52608166" z3="5.17137042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64952635" y3="1.02372776" z3="4.88335168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.88693763" y3="-0.38660283" z3="5.98948702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.3625935" y3="-1.07843321" z3="8.35427243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28964884" y3="-1.67243672" z3="8.27291666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.37495308" y3="-0.5912872" z3="9.35400083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18626545" y3="-2.0715133" z3="8.30984819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.22822012" y3="-2.60457533" z3="7.34120395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32668307" y3="-2.83526775" z3="9.10151273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18499043" y3="-1.41638824" z3="8.46516793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24264201" y3="-0.91392945" z3="9.4526954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27383603" y3="-0.61777133" z3="7.70743539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37638353" y3="-2.3674889" z3="8.31458112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31303378" y3="-1.77841039" z3="8.34286088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.33780933" y3="-2.83403596" z3="7.31175294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45205717" y3="-3.46488771" z3="9.37613073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.45966903" y3="-3.02975369" z3="10.39286304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58751449" y3="-4.1481035" z3="9.31539026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36758998" y3="-4.07360058" z3="9.26274561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.58456934" y3="-1.3988518" z3="5.7505154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37601445" y3="-0.04684535" z3="7.26055511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64352187" y3="0.76764526" z3="7.30824377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.10732304" y3="1.70171902" z3="6.74603071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.39281179" y3="2.46761814" z3="6.4037881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.10389864" y3="2.16374655" z3="6.88193996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.1854035" y3="0.93484884" z3="5.94709326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60227736" y3="1.06032232" z3="8.03934628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.58639289" y3="1.8163063" z3="8.84753501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.31974282" y3="0.28258602" z3="8.36219869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21224964" y3="0.41772958" z3="7.90352612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.18719582" y3="-0.23192071" z3="7.00770647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02410909" y3="-0.23948785" z3="8.76991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08888601" y3="1.44730129" z3="7.82899501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11635567" y3="2.40110508" z3="7.04856926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.49526462" y3="1.53150012" z3="8.77267431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.537,-1.413,1.5562;-3.5522,-1.8496,1.5732;-1.8437,-2.1905,1.1857;-2.5435,-.5887,.818;-2.1405,-.9133,2.9436;-1.1082,-.5121,2.909;-2.1347,-1.7568,3.6546;-3.0829,.157,3.4944;-4.0991,-.2701,3.5574;-3.1238,1.0095,2.7866;-2.6937,.6574,4.881;-3.3195,1.5261,5.1714;-1.6495,1.0237,4.8834;-2.8869,-.3866,5.9895;-2.3626,-1.0784,8.3543;-3.2896,-1.6724,8.2729;-2.375,-.5913,9.354;-1.1863,-2.0715,8.3098;-1.2282,-2.6046,7.3412;-1.3267,-2.8353,9.1015;.185,-1.4164,8.4652;.2426,-.9139,9.4527;.2738,-.6178,7.7074;1.3764,-2.3675,8.3146;2.313,-1.7784,8.3429;1.3378,-2.834,7.3118;1.4521,-3.4649,9.3761;1.4597,-3.0298,10.3929;.5875,-4.1481,9.3154;2.3676,-4.0736,9.2627;-3.5846,-1.3989,5.7505;-2.376,-.0468,7.2606;-1.6435,.7676,7.3082;-7.1073,1.7017,6.746;-6.3928,2.4676,6.4038;-8.1039,2.1637,6.8819;-7.1854,.9348,5.9471;-6.6023,1.0603,8.0393;-6.5864,1.8163,8.8475;-7.3197,.2826,8.3622;-5.2122,.4177,7.9035;-5.1872,-.2319,7.0077;-5.0241,-.2395,8.7699;-4.0889,1.4473,7.829;-4.1164,2.4011,7.0486;-3.4953,1.5315,8.7727;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723246417245</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003932477567 0.000828647707 0.028067244009 0.008513032959</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.010368930 -0.001817966 0.000053954 0.000133785 0.000257426 0.000341289 0.000522972 0.000657825 0.000930893 0.001393809 0.002414892 0.002877838 0.003188186 0.003368267 0.004006727 0.005557046 0.005657171 0.005785360 0.006835111 0.007578088 0.009324154 0.010851204 0.012675884 0.016241663 0.017827207 0.020617559 0.021191082 0.024624899 0.027347139 0.029989556 0.031538231 0.033252595 0.035830395 0.036664103 0.039517670 0.041837569 0.045832828 0.046613902 0.048503075 0.050111559 0.050366066 0.050628138 0.052389565 0.052625811 0.053413348 0.055338206 0.057529815 0.059018048 0.060717537 0.065428418 0.066282024 0.070844905 0.072455834 0.075571058 0.076256169 0.077104236 0.077820373 0.081502964 0.082448782 0.088348984 0.091593203 0.093528598 0.098957472 0.100131602 0.110393548 0.112822137 0.113315540 0.114146114 0.119167240 0.128020212 0.135939183 0.137268533 0.139955632 0.140329034 0.147649284 0.153525067 0.155476661 0.161108844 0.170427396 0.177106764 0.178991931 0.184484862 0.193972341 0.206458174 0.212856409 0.217425050 0.220814939 0.240155126 0.250211654 0.261466030 0.296687000 0.312233937 0.340349064 0.384858000 0.407158993 0.459827889 0.503354970 0.522424963 0.565256824 0.597293964 0.631439896 0.633656188 0.674641274 0.734103955 0.740195614 0.752649848 0.757097465 0.773148545 0.780586192 0.781950669 0.784903342 0.785310177 0.789359788 0.801145107 0.810885674 0.820008830 0.825253897 0.827068122 0.848040085 0.850297860 0.853332171 0.867984504 0.892544318 0.895318263 0.900258459 0.910133944 0.914015563 0.918009588 0.920230761 0.973607290 1.358972818 1.469062463</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55320433" y3="-1.40444622" z3="1.55636808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.56975941" y3="-1.83780819" z3="1.57710874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.8640706" y3="-2.18346318" z3="1.18104615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.56043115" y3="-0.57860252" z3="0.81967384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.14859012" y3="-0.90888639" z3="2.9428397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.11537956" y3="-0.5104458" z3="2.90405355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.14183362" y3="-1.75362179" z3="3.65216796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0849407" y3="0.16311836" z3="3.5006151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10237819" y3="-0.26062218" z3="3.56701177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12656368" y3="1.01717617" z3="2.79467128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68714323" y3="0.66022595" z3="4.8860051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30878458" y3="1.53085753" z3="5.17997328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64168486" y3="1.02317991" z3="4.88330899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87781449" y3="-0.3840339" z3="5.99490422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.3597502" y3="-1.07259262" z3="8.36070657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28819891" y3="-1.66492496" z3="8.28288799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.36835051" y3="-0.58462608" z3="9.3601204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18593334" y3="-2.06846967" z3="8.31334214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23183463" y3="-2.60110669" z3="7.34452653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3265109" y3="-2.83200205" z3="9.10518201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18743793" y3="-1.4170984" z3="8.46573008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.24816713" y3="-0.91369225" z3="9.45259818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27768553" y3="-0.61954623" z3="7.70692387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37566861" y3="-2.37228505" z3="8.31467404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31429534" y3="-1.78618833" z3="8.3406158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.33410619" y3="-2.8403011" z3="7.31263069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44959641" y3="-3.4684129" z3="9.37779537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.46044594" y3="-3.03180613" z3="10.39389572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58275963" y3="-4.14897557" z3="9.31966409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36297281" y3="-4.08032039" z3="9.26368532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.57087492" y3="-1.39897812" z3="5.75574903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37331705" y3="-0.04217922" z3="7.26594808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64429601" y3="0.77489792" z3="7.3153436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.10142906" y3="1.67942634" z3="6.72457898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.38609344" y3="2.44223201" z3="6.38417764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.09938849" y3="2.13999317" z3="6.85387272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.17699879" y3="0.92198034" z3="5.93095946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60078201" y3="1.0559187" z3="8.02567794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.58557538" y3="1.83363699" z3="8.82029491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.31784175" y3="0.28063422" z3="8.36773333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20909245" y3="0.41442027" z3="7.90545376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.17585136" y3="-0.24948405" z3="7.01609484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02359579" y3="-0.23161211" z3="8.78468136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08913423" y3="1.4469569" z3="7.82978566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11632159" y3="2.3989468" z3="7.04784132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.49335498" y3="1.53338671" z3="8.77496905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5532,-1.4044,1.5564;-3.5698,-1.8378,1.5771;-1.8641,-2.1835,1.181;-2.5604,-.5786,.8197;-2.1486,-.9089,2.9428;-1.1154,-.5104,2.9041;-2.1418,-1.7536,3.6522;-3.0849,.1631,3.5006;-4.1024,-.2606,3.567;-3.1266,1.0172,2.7947;-2.6871,.6602,4.886;-3.3088,1.5309,5.18;-1.6417,1.0232,4.8833;-2.8778,-.384,5.9949;-2.3598,-1.0726,8.3607;-3.2882,-1.6649,8.2829;-2.3684,-.5846,9.3601;-1.1859,-2.0685,8.3133;-1.2318,-2.6011,7.3445;-1.3265,-2.832,9.1052;.1874,-1.4171,8.4657;.2482,-.9137,9.4526;.2777,-.6195,7.7069;1.3757,-2.3723,8.3147;2.3143,-1.7862,8.3406;1.3341,-2.8403,7.3126;1.4496,-3.4684,9.3778;1.4604,-3.0318,10.3939;.5828,-4.149,9.3197;2.363,-4.0803,9.2637;-3.5709,-1.399,5.7557;-2.3733,-.0422,7.2659;-1.6443,.7749,7.3153;-7.1014,1.6794,6.7246;-6.3861,2.4422,6.3842;-8.0994,2.14,6.8539;-7.177,.922,5.931;-6.6008,1.0559,8.0257;-6.5856,1.8336,8.8203;-7.3178,.2806,8.3677;-5.2091,.4144,7.9055;-5.1759,-.2495,7.0161;-5.0236,-.2316,8.7847;-4.0891,1.447,7.8298;-4.1163,2.3989,7.0478;-3.4934,1.5334,8.775;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723214875918</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006983523375 0.001228185980 0.045165125097 0.008513105887</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.010502237 -0.004851212 0.000055829 0.000134004 0.000259254 0.000341371 0.000524986 0.000659026 0.000930945 0.001394240 0.002418297 0.002878040 0.003189104 0.003379871 0.004015634 0.005558743 0.005710991 0.005798249 0.006837348 0.007647870 0.009593977 0.010858234 0.012759272 0.016258458 0.017849377 0.020693914 0.021686804 0.025165896 0.027352867 0.030042582 0.031545682 0.033270277 0.036653834 0.039333696 0.039517652 0.042451204 0.045873033 0.046631996 0.048505353 0.050119758 0.050515024 0.050628670 0.052400439 0.052625852 0.053422389 0.055341707 0.057529619 0.059017881 0.060706213 0.065428339 0.066282328 0.070864624 0.072573321 0.075582825 0.076257508 0.077112692 0.077829449 0.081502997 0.082470456 0.088350232 0.091592684 0.093528883 0.099194698 0.100132017 0.110393681 0.112822266 0.113317531 0.114180184 0.119167500 0.128048959 0.135941656 0.137426899 0.140092527 0.140415111 0.147659242 0.153527399 0.155535815 0.161654647 0.170592123 0.177926098 0.179252830 0.184484924 0.193973397 0.206547713 0.212893462 0.217563607 0.221207260 0.240157844 0.250210615 0.261507930 0.296703575 0.312245642 0.340355257 0.385140202 0.407227578 0.459857603 0.504836683 0.522504766 0.565266338 0.597294712 0.631887374 0.633746446 0.674657739 0.734598760 0.740196843 0.752649873 0.757098933 0.773149567 0.780597164 0.781949905 0.785071043 0.787241760 0.789359916 0.801166785 0.810924363 0.820045398 0.825521997 0.829769384 0.848974340 0.850336744 0.853332253 0.867990252 0.892548954 0.895351543 0.900271464 0.910236616 0.914016093 0.918009495 0.920231616 0.973752224 1.359082785 1.469300962</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.5700074" y3="-1.39650942" z3="1.55707528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58791675" y3="-1.82657371" z3="1.58240109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.88535205" y3="-2.17696776" z3="1.17651546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.57852679" y3="-0.56921566" z3="0.82196372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.15639644" y3="-0.90473681" z3="2.94235084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.12188529" y3="-0.50992751" z3="2.89871112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.14932321" y3="-1.75052713" z3="3.65062835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08606444" y3="0.1696995" z3="3.50655935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10434143" y3="-0.25100311" z3="3.57808478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12866752" y3="1.02499923" z3="2.80222955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67974072" y3="0.66316916" z3="4.89063921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29709775" y3="1.53586554" z3="5.187992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63270551" y3="1.02180276" z3="4.88428493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87314187" y3="-0.38092189" z3="5.99918547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35436021" y3="-1.06772294" z3="8.36672483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28507778" y3="-1.65689118" z3="8.29113607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35997704" y3="-0.57791849" z3="9.36524051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18405858" y3="-2.06738016" z3="8.31905819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23360749" y3="-2.60093175" z3="7.3509515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32522346" y3="-2.82947864" z3="9.11213539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1911554" y3="-1.41916808" z3="8.46754255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.25509281" y3="-0.9143412" z3="9.45352079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2814139" y3="-0.62302488" z3="7.70730975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37650716" y3="-2.37747874" z3="8.31538849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31670324" y3="-1.79385822" z3="8.33878941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.33164644" y3="-2.84660824" z3="7.31401084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44923357" y3="-3.47234263" z3="9.37982744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.4630763" y3="-3.03434199" z3="10.39531065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58027553" y3="-4.15037836" z3="9.32415856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36058123" y3="-4.08706811" z3="9.26493307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.57555856" y3="-1.39353423" z3="5.76097234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36397319" y3="-0.03934889" z3="7.27006387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63665798" y3="0.7794981" z3="7.3205146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.09561257" y3="1.66560474" z3="6.70870929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.38046397" y3="2.4259005" z3="6.35434614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.09603093" y3="2.1268315" z3="6.82327276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.16304086" y3="0.87681521" z3="5.92660895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60087662" y3="1.05575798" z3="8.02042079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.5934284" y3="1.82505662" z3="8.81024947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3188837" y3="0.28530674" z3="8.35156206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20747963" y3="0.41554291" z3="7.90994596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.16881467" y3="-0.2404683" z3="7.02305575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02889303" y3="-0.23098886" z3="8.78072693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08834071" y3="1.44928471" z3="7.83273888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.12198551" y3="2.39899419" z3="7.0448521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.48614231" y3="1.53998371" z3="8.77518917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.57,-1.3965,1.5571;-3.5879,-1.8266,1.5824;-1.8854,-2.177,1.1765;-2.5785,-.5692,.822;-2.1564,-.9047,2.9424;-1.1219,-.5099,2.8987;-2.1493,-1.7505,3.6506;-3.0861,.1697,3.5066;-4.1043,-.251,3.5781;-3.1287,1.025,2.8022;-2.6797,.6632,4.8906;-3.2971,1.5359,5.188;-1.6327,1.0218,4.8843;-2.8731,-.3809,5.9992;-2.3544,-1.0677,8.3667;-3.2851,-1.6569,8.2911;-2.36,-.5779,9.3652;-1.1841,-2.0674,8.3191;-1.2336,-2.6009,7.351;-1.3252,-2.8295,9.1121;.1912,-1.4192,8.4675;.2551,-.9143,9.4535;.2814,-.623,7.7073;1.3765,-2.3775,8.3154;2.3167,-1.7939,8.3388;1.3316,-2.8466,7.314;1.4492,-3.4723,9.3798;1.4631,-3.0343,10.3953;.5803,-4.1504,9.3242;2.3606,-4.0871,9.2649;-3.5756,-1.3935,5.761;-2.364,-.0393,7.2701;-1.6367,.7795,7.3205;-7.0956,1.6656,6.7087;-6.3805,2.4259,6.3543;-8.096,2.1268,6.8233;-7.163,.8768,5.9266;-6.6009,1.0558,8.0204;-6.5934,1.8251,8.8102;-7.3189,.2853,8.3516;-5.2075,.4155,7.9099;-5.1688,-.2405,7.0231;-5.0289,-.231,8.7807;-4.0883,1.4493,7.8327;-4.122,2.399,7.0449;-3.4861,1.54,8.7752;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723167825068</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010840755306 0.001767381371 0.025032413916 0.008511956631</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.010805098 -0.005982236 0.000056371 0.000135095 0.000286652 0.000341357 0.000527834 0.000659468 0.000931320 0.001394326 0.002418158 0.002879655 0.003202408 0.003396985 0.004019052 0.005560055 0.005715657 0.005805108 0.006846101 0.007662926 0.009747223 0.010895052 0.012887407 0.016278450 0.017912836 0.020691843 0.021980428 0.025547270 0.027355831 0.030058239 0.031601923 0.033324041 0.036662587 0.039517359 0.041842361 0.044862329 0.046485897 0.047070036 0.048658495 0.050138213 0.050627868 0.051099274 0.052539883 0.052632878 0.053438226 0.055352868 0.057531217 0.059040216 0.060713340 0.065430485 0.066282454 0.070862779 0.072592849 0.075616398 0.076268802 0.077114821 0.077843303 0.081521810 0.082591128 0.088365456 0.091595638 0.093530239 0.099424917 0.100132035 0.110394048 0.112822611 0.113317265 0.114178219 0.119167429 0.128071326 0.135943710 0.137557182 0.140178301 0.140791060 0.147720366 0.153538983 0.155878934 0.163191557 0.170889319 0.178611291 0.180865850 0.184486067 0.193973307 0.206556692 0.212977704 0.217692348 0.221882132 0.240153160 0.250222059 0.261555432 0.296709962 0.312316483 0.340395133 0.385440234 0.407338740 0.459897310 0.508004056 0.522781170 0.565284628 0.597301087 0.632148572 0.633820936 0.674744448 0.736686370 0.740209004 0.752649928 0.757103277 0.773153913 0.780600987 0.781957878 0.785084619 0.789359904 0.790989834 0.801249658 0.810987507 0.820087702 0.825608040 0.836893641 0.849903955 0.850427195 0.853332367 0.868001920 0.892559911 0.895408241 0.900357747 0.910656519 0.914032519 0.918009457 0.920232103 0.974276974 1.359371455 1.471521813</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.58811185" y3="-1.38924461" z3="1.5586415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60722442" y3="-1.81607821" z3="1.58951501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.90836723" y3="-2.17121304" z3="1.17243479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59856367" y3="-0.56058289" z3="0.82515911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.16456164" y3="-0.90131493" z3="2.94229411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.12884948" y3="-0.51013954" z3="2.89333973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.15642842" y3="-1.74807962" z3="3.64921488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08752763" y3="0.17562505" z3="3.5131259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10736686" y3="-0.24089681" z3="3.58802159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12997197" y3="1.03246537" z3="2.81055536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67386591" y3="0.6654769" z3="4.89639906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.282836" y3="1.54263298" z3="5.19685686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62382426" y3="1.01545936" z3="4.88700002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86703134" y3="-0.3778839" z3="6.00513213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.35272989" y3="-1.06143547" z3="8.37416016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28403177" y3="-1.64979209" z3="8.30251146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.35397994" y3="-0.57106606" z3="9.37230762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18432556" y3="-2.06339457" z3="8.32300657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23767957" y3="-2.59743765" z3="7.35544921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32544792" y3="-2.82482486" z3="9.11681296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19308712" y3="-1.41904862" z3="8.46808972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26075308" y3="-0.91374532" z3="9.45354581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28407917" y3="-0.62370961" z3="7.70709101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37549864" y3="-2.38089141" z3="8.31427289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31734546" y3="-1.79981454" z3="8.33471259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.32701129" y3="-2.85122363" z3="7.31363456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4480186" y3="-3.47454842" z3="9.37995378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.46564283" y3="-3.03533325" z3="10.39484497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.57724033" y3="-4.15044461" z3="9.32733449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.35745199" y3="-4.09176992" z3="9.26357999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.55151169" y3="-1.39614295" z3="5.76586635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36785518" y3="-0.0319069" z3="7.27822775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63705302" y3="0.78470502" z3="7.32721452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.08787673" y3="1.64752157" z3="6.68759404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.37066274" y3="2.40551323" z3="6.33766906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.08698558" y3="2.10935092" z3="6.79824035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.15359339" y3="0.86877828" z3="5.91058168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59939884" y3="1.04897948" z3="8.00445869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.59946601" y3="1.83816718" z3="8.78772771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.31826316" y3="0.27767697" z3="8.34579174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20427278" y3="0.41258569" z3="7.90663616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.16039408" y3="-0.26006699" z3="7.0236929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.02674225" y3="-0.22484699" z3="8.79594583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08407505" y3="1.44662949" z3="7.8316329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11196831" y3="2.39759454" z3="7.0490262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.49725317" y3="1.53817161" z3="8.77858453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5881,-1.3892,1.5586;-3.6072,-1.8161,1.5895;-1.9084,-2.1712,1.1724;-2.5986,-.5606,.8252;-2.1646,-.9013,2.9423;-1.1288,-.5101,2.8933;-2.1564,-1.7481,3.6492;-3.0875,.1756,3.5131;-4.1074,-.2409,3.588;-3.13,1.0325,2.8106;-2.6739,.6655,4.8964;-3.2828,1.5426,5.1969;-1.6238,1.0155,4.887;-2.867,-.3779,6.0051;-2.3527,-1.0614,8.3742;-3.284,-1.6498,8.3025;-2.354,-.5711,9.3723;-1.1843,-2.0634,8.323;-1.2377,-2.5974,7.3554;-1.3254,-2.8248,9.1168;.1931,-1.419,8.4681;.2608,-.9137,9.4535;.2841,-.6237,7.7071;1.3755,-2.3809,8.3143;2.3173,-1.7998,8.3347;1.327,-2.8512,7.3136;1.448,-3.4745,9.38;1.4656,-3.0353,10.3948;.5772,-4.1504,9.3273;2.3575,-4.0918,9.2636;-3.5515,-1.3961,5.7659;-2.3679,-.0319,7.2782;-1.6371,.7847,7.3272;-7.0879,1.6475,6.6876;-6.3707,2.4055,6.3377;-8.087,2.1094,6.7982;-7.1536,.8688,5.9106;-6.5994,1.049,8.0045;-6.5995,1.8382,8.7877;-7.3183,.2777,8.3458;-5.2043,.4126,7.9066;-5.1604,-.2601,7.0237;-5.0267,-.2248,8.7959;-4.0841,1.4466,7.8316;-4.112,2.3976,7.049;-3.4973,1.5382,8.7786;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723221272733</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008923426652 0.001451788268 0.035094045122 0.008511178901</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.011191511 -0.003092801 0.000057198 0.000136368 0.000272472 0.000342867 0.000528108 0.000662760 0.000940605 0.001401896 0.002418772 0.002880044 0.003218472 0.003406354 0.004019443 0.005560529 0.005715890 0.005808140 0.006881688 0.007678770 0.009761823 0.010909742 0.013020556 0.016282327 0.017935393 0.020692907 0.022035331 0.025628700 0.027355681 0.030059774 0.031618287 0.033341014 0.036667830 0.039518784 0.042301973 0.045146097 0.046571704 0.047633971 0.048962709 0.050157240 0.050629468 0.051700220 0.052616186 0.052885956 0.053442968 0.055408044 0.057540313 0.059121121 0.060915001 0.065431160 0.066285168 0.070915182 0.072624869 0.075637824 0.076292731 0.077114017 0.077848298 0.081558501 0.082713544 0.088423937 0.091602224 0.093537427 0.099461569 0.100132859 0.110396756 0.112822680 0.113319408 0.114178069 0.119168261 0.128076930 0.135944274 0.137605703 0.140185812 0.140840149 0.147732838 0.153545046 0.156101763 0.164596385 0.171177121 0.178721624 0.182504219 0.184494948 0.193973262 0.206598043 0.213070622 0.217784595 0.222751677 0.240150377 0.250244378 0.261570342 0.296815129 0.312719023 0.340483486 0.385472448 0.407388111 0.459931144 0.509528970 0.523019826 0.565302939 0.597310284 0.632232015 0.633853474 0.674839155 0.737941528 0.740246683 0.752649920 0.757108319 0.773157173 0.780600609 0.781976919 0.785092221 0.789360134 0.792693467 0.801370833 0.811027047 0.820106557 0.825631522 0.843138570 0.850194665 0.850434594 0.853333021 0.868016965 0.892564635 0.895415766 0.900444928 0.911190740 0.914095587 0.918009540 0.920232705 0.975237281 1.359948099 1.476712371</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.60825002" y3="-1.38243755" z3="1.56074603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62846084" y3="-1.80609942" z3="1.59833324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.93377748" y3="-2.16585054" z3="1.1681606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.62145583" y3="-0.5524104" z3="0.82878404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.17309869" y3="-0.89825644" z3="2.94214659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.13615495" y3="-0.51127499" z3="2.88657369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.16404063" y3="-1.74590239" z3="3.64807886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08717174" y3="0.18201174" z3="3.52070375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10881259" y3="-0.22935393" z3="3.60017304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12934641" y3="1.04050351" z3="2.82016895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6621196" y3="0.66705399" z3="4.90227046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26578852" y3="1.5468584" z3="5.20711589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61053742" y3="1.01201514" z3="4.8870879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85680097" y3="-0.37636393" z3="6.01100059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34864924" y3="-1.05765813" z3="8.38208392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.28122865" y3="-1.64446601" z3="8.31182354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3483087" y3="-0.56679511" z3="9.37987991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18234539" y3="-2.06179117" z3="8.33003044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23915804" y3="-2.59703559" z3="7.36328288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32313467" y3="-2.82174405" z3="9.12519667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19673285" y3="-1.42008852" z3="8.47077028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.26845119" y3="-0.91446191" z3="9.4557893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28713801" y3="-0.62534203" z3="7.70910071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37656874" y3="-2.38451882" z3="8.31377988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31972192" y3="-1.80548475" z3="8.33086054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.32380508" y3="-2.85527965" z3="7.31356881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45032108" y3="-3.47779511" z3="9.3797031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.47230007" y3="-3.03818833" z3="10.39432194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.57797916" y3="-4.15191207" z3="9.33026483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.35807029" y3="-4.09692742" z3="9.26058512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.55117922" y3="-1.39367038" z3="5.77104904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36102213" y3="-0.02865633" z3="7.28547661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63493435" y3="0.79086832" z3="7.33701003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.08369797" y3="1.63453239" z3="6.66563512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.36498042" y3="2.39013252" z3="6.31360614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.08586326" y3="2.09561883" z3="6.76314631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.14179894" y3="0.84432846" z3="5.89424703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60108814" y3="1.04827318" z3="7.99348004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6026087" y3="1.83851822" z3="8.76929652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.31862542" y3="0.27639456" z3="8.33907564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20439696" y3="0.4111597" z3="7.90774238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.15457764" y3="-0.25423824" z3="7.02650323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.03366317" y3="-0.22780565" z3="8.78693874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08571318" y3="1.44613962" z3="7.83641477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11718845" y3="2.39792134" z3="7.05041301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.49507891" y3="1.53993513" z3="8.78546813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6083,-1.3824,1.5607;-3.6285,-1.8061,1.5983;-1.9338,-2.1659,1.1682;-2.6215,-.5524,.8288;-2.1731,-.8983,2.9421;-1.1362,-.5113,2.8866;-2.164,-1.7459,3.6481;-3.0872,.182,3.5207;-4.1088,-.2294,3.6002;-3.1293,1.0405,2.8202;-2.6621,.6671,4.9023;-3.2658,1.5469,5.2071;-1.6105,1.012,4.8871;-2.8568,-.3764,6.011;-2.3486,-1.0577,8.3821;-3.2812,-1.6445,8.3118;-2.3483,-.5668,9.3799;-1.1823,-2.0618,8.33;-1.2392,-2.597,7.3633;-1.3231,-2.8217,9.1252;.1967,-1.4201,8.4708;.2685,-.9145,9.4558;.2871,-.6253,7.7091;1.3766,-2.3845,8.3138;2.3197,-1.8055,8.3309;1.3238,-2.8553,7.3136;1.4503,-3.4778,9.3797;1.4723,-3.0382,10.3943;.578,-4.1519,9.3303;2.3581,-4.0969,9.2606;-3.5512,-1.3937,5.771;-2.361,-.0287,7.2855;-1.6349,.7909,7.337;-7.0837,1.6345,6.6656;-6.365,2.3901,6.3136;-8.0859,2.0956,6.7631;-7.1418,.8443,5.8942;-6.6011,1.0483,7.9935;-6.6026,1.8385,8.7693;-7.3186,.2764,8.3391;-5.2044,.4112,7.9077;-5.1546,-.2542,7.0265;-5.0337,-.2278,8.7869;-4.0857,1.4461,7.8364;-4.1172,2.3979,7.0504;-3.4951,1.5399,8.7855;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723253304736</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006978527118 0.001000505769 0.035701065858 0.008513379532</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.011191557 -0.002399067 0.000057299 0.000136196 0.000267078 0.000342796 0.000528454 0.000661513 0.000980172 0.001460428 0.002431414 0.002886735 0.003278119 0.003508789 0.004025308 0.005560326 0.005718623 0.005818980 0.007037292 0.007802142 0.009768356 0.010934267 0.013354789 0.016282774 0.017952969 0.020692834 0.022097580 0.025715476 0.027355735 0.030062539 0.031620853 0.033344722 0.036667690 0.039521691 0.043027188 0.045136496 0.046582123 0.047635316 0.049028515 0.050162662 0.050647182 0.051678675 0.052615786 0.052868961 0.053548308 0.055468282 0.057562237 0.059158832 0.061527469 0.065433525 0.066286519 0.070973551 0.072790633 0.075638505 0.076304478 0.077115111 0.077847847 0.081587537 0.082745755 0.088478751 0.091607781 0.093544563 0.099459408 0.100133936 0.110398941 0.112822653 0.113321668 0.114191965 0.119169172 0.128077451 0.135962950 0.137692981 0.140189236 0.140837354 0.147732664 0.153545454 0.156164314 0.165138035 0.171294798 0.178741693 0.182823587 0.184511084 0.193973337 0.206659068 0.213134395 0.217811097 0.223566640 0.240164131 0.250310403 0.261571436 0.296963872 0.313061636 0.340543371 0.385544632 0.407408959 0.459940324 0.509527702 0.523025411 0.565308600 0.597312093 0.632806273 0.634253180 0.674875184 0.737973541 0.740262369 0.752650013 0.757110314 0.773160532 0.780601279 0.781982307 0.785094409 0.789360459 0.792824999 0.801405851 0.811031211 0.820111770 0.825632066 0.845911901 0.850191484 0.850881900 0.853339708 0.868022279 0.892565587 0.895418031 0.900630005 0.911508830 0.914205954 0.918010249 0.920232828 0.975689731 1.360074095 1.480490025</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.62773133" y3="-1.37824496" z3="1.56495997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.64941367" y3="-1.79796464" z3="1.6089952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.95882572" y3="-2.16431985" z3="1.16805523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.64233873" y3="-0.54808323" z3="0.83305353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.1820366" y3="-0.89606698" z3="2.94368667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14350734" y3="-0.5141078" z3="2.88192678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.17336081" y3="-1.74347515" z3="3.64979512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08785481" y3="0.18856654" z3="3.52706625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1113142" y3="-0.21744909" z3="3.61024111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12827213" y3="1.04793587" z3="2.82745036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.65641123" y3="0.67085521" z3="4.90763075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25418679" y3="1.55380426" z3="5.21330844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60266448" y3="1.00967061" z3="4.8890356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85078884" y3="-0.37284916" z3="6.0164408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34371294" y3="-1.05489261" z3="8.38750292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27742621" y3="-1.63993082" z3="8.31784359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.34199026" y3="-0.56334983" z3="9.38499396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17941126" y3="-2.061755" z3="8.33587177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.23882535" y3="-2.59837083" z3="7.37011887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32040854" y3="-2.82016944" z3="9.13263722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20106081" y3="-1.42226643" z3="8.47303738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.27630008" y3="-0.91643303" z3="9.45771695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29036486" y3="-0.62795196" z3="7.71073734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37896966" y3="-2.38862383" z3="8.31296647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32316816" y3="-1.81117306" z3="8.32694235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.32238556" y3="-2.85967432" z3="7.31308941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45397885" y3="-3.48164602" z3="9.37918122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.48026414" y3="-3.04159539" z3="10.39353313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.57994263" y3="-4.15385613" z3="9.33298662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.3600181" y3="-4.10290575" z3="9.25730654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.53398541" y3="-1.39270374" z3="5.77534186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35502036" y3="-0.02670543" z3="7.29017849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63061006" y3="0.795088" z3="7.34365247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.07694127" y3="1.6274697" z3="6.64855549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.35890125" y3="2.38547096" z3="6.30039668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.08199696" y3="2.08362152" z3="6.73699724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.12584186" y3="0.83530169" z3="5.87891426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60572487" y3="1.04194668" z3="7.97584023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.62355586" y3="1.82847602" z3="8.75354733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.32516439" y3="0.27220232" z3="8.30337457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20424673" y3="0.41151452" z3="7.90670526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.14149549" y3="-0.26810063" z3="7.03021926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.03694812" y3="-0.21733748" z3="8.80368668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08981594" y3="1.45244752" z3="7.83986192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11834016" y3="2.40295244" z3="7.05454147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5013517" y3="1.54513497" z3="8.78796344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6277,-1.3782,1.565;-3.6494,-1.798,1.609;-1.9588,-2.1643,1.1681;-2.6423,-.5481,.8331;-2.182,-.8961,2.9437;-1.1435,-.5141,2.8819;-2.1734,-1.7435,3.6498;-3.0879,.1886,3.5271;-4.1113,-.2174,3.6102;-3.1283,1.0479,2.8275;-2.6564,.6709,4.9076;-3.2542,1.5538,5.2133;-1.6027,1.0097,4.889;-2.8508,-.3728,6.0164;-2.3437,-1.0549,8.3875;-3.2774,-1.6399,8.3178;-2.342,-.5633,9.385;-1.1794,-2.0618,8.3359;-1.2388,-2.5984,7.3701;-1.3204,-2.8202,9.1326;.2011,-1.4223,8.473;.2763,-.9164,9.4577;.2904,-.628,7.7107;1.379,-2.3886,8.313;2.3232,-1.8112,8.3269;1.3224,-2.8597,7.3131;1.454,-3.4816,9.3792;1.4803,-3.0416,10.3935;.5799,-4.1539,9.333;2.36,-4.1029,9.2573;-3.534,-1.3927,5.7753;-2.355,-.0267,7.2902;-1.6306,.7951,7.3437;-7.0769,1.6275,6.6486;-6.3589,2.3855,6.3004;-8.082,2.0836,6.737;-7.1258,.8353,5.8789;-6.6057,1.0419,7.9758;-6.6236,1.8285,8.7535;-7.3252,.2722,8.3034;-5.2042,.4115,7.9067;-5.1415,-.2681,7.0302;-5.0369,-.2173,8.8037;-4.0898,1.4524,7.8399;-4.1183,2.403,7.0545;-3.5014,1.5451,8.788;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723243522343</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006511107943 0.001112384301 0.025698968502 0.008512516867</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.011933437 -0.002940845 0.000057340 0.000138782 0.000244114 0.000343213 0.000536472 0.000659798 0.000991533 0.001521832 0.002457839 0.002899689 0.003314485 0.003870030 0.004103909 0.005560570 0.005743760 0.005856652 0.007212445 0.008122024 0.009773377 0.011009865 0.014319956 0.016295361 0.017990035 0.020693828 0.022201753 0.025846932 0.027355954 0.030069437 0.031626907 0.033350793 0.036669537 0.039522121 0.043819647 0.045138443 0.046597096 0.047672911 0.049022877 0.050161915 0.050654279 0.051750464 0.052622050 0.053023675 0.053874062 0.055577711 0.057564758 0.059170304 0.062067013 0.065502365 0.066290185 0.070973341 0.073234278 0.075637770 0.076307186 0.077133582 0.077913440 0.081593624 0.082793043 0.088510561 0.091620199 0.093544903 0.099478641 0.100138574 0.110402104 0.112822610 0.113322470 0.114188467 0.119169420 0.128077927 0.136064587 0.137902178 0.140189583 0.141151335 0.147806310 0.153545347 0.156167302 0.165448483 0.171382159 0.178749714 0.182818547 0.184512815 0.193974497 0.206670765 0.213184532 0.217864624 0.224670628 0.240227465 0.250350934 0.261571583 0.297055317 0.313191538 0.340600158 0.386224142 0.407472285 0.459949189 0.509564359 0.523025704 0.565319164 0.597314642 0.633285302 0.636967486 0.674912214 0.738107352 0.740263296 0.752650527 0.757111717 0.773162508 0.780604132 0.781981178 0.785096624 0.789360694 0.792832898 0.801410276 0.811031236 0.820113451 0.825632343 0.846642644 0.850191669 0.851117581 0.853339601 0.868027461 0.892565577 0.895441926 0.901537839 0.911712503 0.914297792 0.918010408 0.920236029 0.975997935 1.360525986 1.482505677</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.6463951" y3="-1.37412303" z3="1.57023713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.66920619" y3="-1.79021208" z3="1.62092179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.98302718" y3="-2.16245053" z3="1.1686127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.66291741" y3="-0.54368438" z3="0.83876973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.1899111" y3="-0.89416252" z3="2.94626473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.15024826" y3="-0.51641091" z3="2.87806209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.18057273" y3="-1.74163815" z3="3.65228009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08751782" y3="0.19407658" z3="3.53585454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11277278" y3="-0.20672667" z3="3.62212246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12665417" y3="1.05502824" z3="2.8381107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64646447" y3="0.67130194" z3="4.91528539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23765886" y3="1.55725797" z3="5.22627279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59099466" y3="1.00416658" z3="4.89245558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84208627" y3="-0.37293282" z3="6.02347438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.34255887" y3="-1.0511386" z3="8.39717974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27691078" y3="-1.6356935" z3="8.33036206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33773148" y3="-0.56001642" z3="9.39475547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17932735" y3="-2.05853546" z3="8.34002696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24283044" y3="-2.59302484" z3="7.37326055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31834939" y3="-2.81823384" z3="9.13569059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20202461" y3="-1.42043941" z3="8.47400456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.28035577" y3="-0.91548267" z3="9.45887881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29026041" y3="-0.62553241" z3="7.71227374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37838307" y3="-2.38789859" z3="8.31014013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32313883" y3="-1.81137871" z3="8.32133509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.3182269" y3="-2.85868938" z3="7.31037579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45590248" y3="-3.48115483" z3="9.37585192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.48644719" y3="-3.04143172" z3="10.39022218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58101473" y3="-4.15239094" z3="9.33267746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36076318" y3="-4.10329551" z3="9.25054701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.52679037" y3="-1.3955079" z3="5.77997765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3545858" y3="-0.02236387" z3="7.30075297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63499784" y3="0.80255783" z3="7.35663591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.0676045" y3="1.61712758" z3="6.6258737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.34495015" y3="2.37313156" z3="6.27756671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.0685174" y3="2.07783399" z3="6.71129827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.11497687" y3="0.82209497" z3="5.85880883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60341775" y3="1.03872738" z3="7.96427995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.61937509" y3="1.83859033" z3="8.73490376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3256613" y3="0.26695404" z3="8.30580784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20621582" y3="0.40565413" z3="7.89892431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.14420752" y3="-0.26382923" z3="7.02204326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.04571051" y3="-0.22850161" z3="8.78472684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08893019" y3="1.44315411" z3="7.84113215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10970748" y3="2.39688252" z3="7.06214772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.51070209" y3="1.53279702" z3="8.79670222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6464,-1.3741,1.5702;-3.6692,-1.7902,1.6209;-1.983,-2.1625,1.1686;-2.6629,-.5437,.8388;-2.1899,-.8942,2.9463;-1.1502,-.5164,2.8781;-2.1806,-1.7416,3.6523;-3.0875,.1941,3.5359;-4.1128,-.2067,3.6221;-3.1267,1.055,2.8381;-2.6465,.6713,4.9153;-3.2377,1.5573,5.2263;-1.591,1.0042,4.8925;-2.8421,-.3729,6.0235;-2.3426,-1.0511,8.3972;-3.2769,-1.6357,8.3304;-2.3377,-.56,9.3948;-1.1793,-2.0585,8.34;-1.2428,-2.593,7.3733;-1.3183,-2.8182,9.1357;.202,-1.4204,8.474;.2804,-.9155,9.4589;.2903,-.6255,7.7123;1.3784,-2.3879,8.3101;2.3231,-1.8114,8.3213;1.3182,-2.8587,7.3104;1.4559,-3.4812,9.3759;1.4864,-3.0414,10.3902;.581,-4.1524,9.3327;2.3608,-4.1033,9.2505;-3.5268,-1.3955,5.78;-2.3546,-.0224,7.3008;-1.635,.8026,7.3566;-7.0676,1.6171,6.6259;-6.345,2.3731,6.2776;-8.0685,2.0778,6.7113;-7.115,.8221,5.8588;-6.6034,1.0387,7.9643;-6.6194,1.8386,8.7349;-7.3257,.267,8.3058;-5.2062,.4057,7.8989;-5.1442,-.2638,7.022;-5.0457,-.2285,8.7847;-4.0889,1.4432,7.8411;-4.1097,2.3969,7.0621;-3.5107,1.5328,8.7967;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723248460857</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008410729258 0.001134032773 0.036753070682 0.008513172311</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013221906 -0.002318268 0.000058437 0.000139543 0.000255107 0.000343188 0.000535558 0.000658912 0.001002178 0.001579414 0.002470928 0.002906049 0.003326030 0.003958277 0.004456621 0.005560731 0.005797016 0.006047260 0.007264650 0.008280516 0.009774726 0.011040328 0.015164619 0.016367037 0.018036210 0.020693335 0.022313081 0.025981510 0.027356459 0.030077291 0.031650003 0.033368998 0.036669775 0.039522346 0.043931349 0.045373604 0.046633503 0.047697762 0.049022795 0.050167751 0.050654882 0.051855614 0.052628117 0.053208006 0.054473056 0.055785190 0.057567868 0.059168925 0.062281462 0.065703340 0.066294053 0.071021505 0.073561579 0.075640624 0.076307044 0.077150332 0.078159148 0.081593374 0.083188722 0.088525293 0.091641314 0.093546329 0.099665621 0.100152502 0.110406911 0.112822717 0.113322422 0.114209722 0.119169415 0.128079634 0.136152536 0.138023103 0.140189539 0.141714133 0.147893714 0.153545587 0.156168417 0.165492649 0.171390500 0.178753897 0.183060380 0.184513015 0.193974281 0.206774935 0.213207690 0.217895862 0.225412534 0.240298182 0.250350980 0.261594782 0.297088553 0.313204380 0.340626425 0.387656380 0.407602149 0.459957640 0.509727842 0.523027550 0.565333050 0.597319796 0.633351479 0.640244324 0.674961840 0.738207711 0.740263999 0.752650557 0.757111792 0.773164280 0.780625777 0.781992046 0.785097151 0.789360901 0.792835631 0.801417916 0.811032338 0.820114393 0.825632288 0.846696751 0.850216022 0.851146566 0.853348688 0.868039745 0.892565834 0.895459480 0.902067032 0.911901383 0.914414370 0.918010731 0.920236018 0.976328910 1.364899845 1.482743310</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.66429205" y3="-1.37234712" z3="1.57703737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.6885487" y3="-1.7841715" z3="1.63372238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.00644377" y3="-2.16372685" z3="1.17238441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.6814192" y3="-0.54233067" z3="0.84505366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.19840964" y3="-0.89346933" z3="2.95018657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.15743181" y3="-0.52041371" z3="2.87646898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.18965547" y3="-1.74027314" z3="3.65688353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08812697" y3="0.19912212" z3="3.54323089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11534898" y3="-0.19609459" z3="3.63261927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12505103" y3="1.06066783" z3="2.84612919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64095835" y3="0.67370862" z3="4.92148142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22772145" y3="1.56190099" z3="5.23372012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58392632" y3="1.00162641" z3="4.89547012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83729814" y3="-0.37027939" z3="6.02953995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33783028" y3="-1.04992648" z3="8.40277157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27274847" y3="-1.63341959" z3="8.33717687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.33101116" y3="-0.55854361" z3="9.40012581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17586025" y3="-2.05936237" z3="8.34575177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24075365" y3="-2.59541649" z3="7.38009845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31491339" y3="-2.81800457" z3="9.14268615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20653904" y3="-1.42271624" z3="8.47703805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.28811401" y3="-0.9192889" z3="9.4624275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29277154" y3="-0.62682797" z3="7.71606719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.3820457" y3="-2.390423" z3="8.30813265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32707012" y3="-1.81425658" z3="8.31676037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.31827118" y3="-2.85998941" z3="7.30803024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46275978" y3="-3.48491776" z3="9.37229032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.49776727" y3="-3.04631429" z3="10.38697526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58699612" y3="-4.15518649" z3="9.33175969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36651341" y3="-4.10786114" z3="9.24275663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.51829409" y3="-1.39300515" z3="5.78640725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35124912" y3="-0.02035997" z3="7.30611939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.62990529" y3="0.80415043" z3="7.36272199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.06333494" y3="1.61592462" z3="6.60770262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.34340497" y3="2.37687623" z3="6.27717277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.07517195" y3="2.06758337" z3="6.6745452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.0926433" y3="0.82706023" z3="5.83566893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61039595" y3="1.03546229" z3="7.94576649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.63674062" y3="1.82475302" z3="8.71970875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.33195842" y3="0.26241837" z3="8.27138133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20699035" y3="0.40649786" z3="7.89794598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.13065349" y3="-0.27069761" z3="7.02283009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.05320013" y3="-0.22372076" z3="8.79155777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09103202" y3="1.44673232" z3="7.84701272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11633861" y3="2.40245994" z3="7.06407075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.51375468" y3="1.53685627" z3="8.80249983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6643,-1.3723,1.577;-3.6885,-1.7842,1.6337;-2.0064,-2.1637,1.1724;-2.6814,-.5423,.8451;-2.1984,-.8935,2.9502;-1.1574,-.5204,2.8765;-2.1897,-1.7403,3.6569;-3.0881,.1991,3.5432;-4.1153,-.1961,3.6326;-3.1251,1.0607,2.8461;-2.641,.6737,4.9215;-3.2277,1.5619,5.2337;-1.5839,1.0016,4.8955;-2.8373,-.3703,6.0295;-2.3378,-1.0499,8.4028;-3.2727,-1.6334,8.3372;-2.331,-.5585,9.4001;-1.1759,-2.0594,8.3458;-1.2408,-2.5954,7.3801;-1.3149,-2.818,9.1427;.2065,-1.4227,8.477;.2881,-.9193,9.4624;.2928,-.6268,7.7161;1.382,-2.3904,8.3081;2.3271,-1.8143,8.3168;1.3183,-2.86,7.308;1.4628,-3.4849,9.3723;1.4978,-3.0463,10.387;.587,-4.1552,9.3318;2.3665,-4.1079,9.2428;-3.5183,-1.393,5.7864;-2.3512,-.0204,7.3061;-1.6299,.8042,7.3627;-7.0633,1.6159,6.6077;-6.3434,2.3769,6.2772;-8.0752,2.0676,6.6745;-7.0926,.8271,5.8357;-6.6104,1.0355,7.9458;-6.6367,1.8248,8.7197;-7.332,.2624,8.2714;-5.207,.4065,7.8979;-5.1307,-.2707,7.0228;-5.0532,-.2237,8.7916;-4.091,1.4467,7.847;-4.1163,2.4025,7.0641;-3.5138,1.5369,8.8025;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723268605396</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007777316149 0.001076478606 0.027330223497 0.008512051901</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013867933 -0.001931714 0.000059202 0.000139445 0.000239299 0.000343230 0.000533951 0.000660800 0.001003697 0.001618976 0.002476524 0.002911295 0.003329892 0.003958364 0.004629887 0.005560905 0.005812965 0.006413037 0.007306660 0.008275563 0.009783573 0.011049012 0.015181488 0.016363989 0.018058870 0.020695463 0.022309754 0.025977074 0.027356634 0.030076364 0.031687666 0.033399470 0.036680085 0.039523267 0.043985218 0.045890304 0.046732655 0.047695397 0.049031929 0.050171038 0.050655907 0.051870329 0.052631176 0.053241814 0.054861554 0.056002018 0.057611692 0.059169057 0.062252067 0.065796969 0.066296174 0.071133363 0.073635754 0.075652855 0.076308151 0.077155452 0.078370860 0.081601638 0.083733631 0.088525969 0.091649590 0.093554385 0.100039447 0.100260910 0.110407789 0.112822614 0.113323213 0.114301879 0.119169532 0.128084941 0.136193226 0.138019517 0.140191897 0.142179658 0.147949685 0.153545269 0.156168519 0.165489724 0.171391910 0.178754071 0.183343976 0.184515035 0.193974839 0.207158674 0.213207047 0.217920327 0.225496300 0.240313320 0.250370128 0.261596425 0.297089921 0.313204461 0.340633205 0.388279341 0.407661244 0.459960032 0.509735153 0.523029063 0.565340423 0.597325039 0.633356426 0.641406674 0.674987505 0.738227956 0.740267151 0.752650685 0.757111808 0.773165308 0.780689512 0.782051945 0.785097249 0.789361295 0.792999997 0.801424022 0.811033325 0.820114393 0.825633036 0.846864996 0.850291509 0.852852558 0.853600672 0.868054466 0.892567089 0.895470883 0.902439004 0.912021070 0.914523441 0.918010949 0.920236781 0.976441095 1.368661874 1.482855044</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.68263605" y3="-1.36986207" z3="1.58458286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.70817762" y3="-1.77748715" z3="1.6475342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.03055253" y3="-2.16403956" z3="1.1761097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.7008117" y3="-0.53991934" z3="0.85255504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.20650994" y3="-0.89289494" z3="2.95492353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.16459035" y3="-0.52383656" z3="2.87489052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.19686643" y3="-1.7396815" z3="3.66151182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08844071" y3="0.20309784" z3="3.55342645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11708113" y3="-0.18737266" z3="3.64636605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12430182" y3="1.06570537" z3="2.85759134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63314317" y3="0.67396941" z3="4.93041046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21361649" y3="1.56525419" z3="5.24550488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.57432806" y3="0.99601353" z3="4.90040042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83014092" y3="-0.37043652" z3="6.0384164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33547774" y3="-1.04796518" z3="8.41302026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27123195" y3="-1.63077206" z3="8.34954918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32635821" y3="-0.55660045" z3="9.41035846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17428166" y3="-2.05760837" z3="8.35155066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24311884" y3="-2.59174215" z3="7.38500792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31091871" y3="-2.81713973" z3="9.14781318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20850187" y3="-1.42119904" z3="8.478919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.29372802" y3="-0.91958319" z3="9.46496649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29226348" y3="-0.623879" z3="7.71916216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38306825" y3="-2.38891603" z3="8.30381373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32832186" y3="-1.81306466" z3="8.31004504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.31542392" y3="-2.85651641" z3="7.30303665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46734817" y3="-3.48552356" z3="9.36557598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.50663121" y3="-3.04888878" z3="10.3809705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.59099782" y3="-4.15517164" z3="9.3272489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.37024182" y3="-4.10875829" z3="9.23126939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.5086196" y3="-1.39545972" z3="5.79304163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34765741" y3="-0.01949504" z3="7.31623455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63314594" y3="0.8097238" z3="7.37567766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.05375014" y3="1.61377451" z3="6.58635931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.32968899" y3="2.37687721" z3="6.25071708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.05647185" y3="2.06668662" z3="6.65936265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.0850575" y3="0.82022912" z3="5.81555024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61133819" y3="1.030135" z3="7.92699626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.64763819" y3="1.82313636" z3="8.70189649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.33739959" y3="0.2576191" z3="8.24405111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20966826" y3="0.40158948" z3="7.88903168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.12874551" y3="-0.27428385" z3="7.01535377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.06249997" y3="-0.22802182" z3="8.78564817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09523089" y3="1.44369458" z3="7.848839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10834399" y3="2.4004772" z3="7.0734817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.52265518" y3="1.52859219" z3="8.80911577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6826,-1.3699,1.5846;-3.7082,-1.7775,1.6475;-2.0306,-2.164,1.1761;-2.7008,-.5399,.8526;-2.2065,-.8929,2.9549;-1.1646,-.5238,2.8749;-2.1969,-1.7397,3.6615;-3.0884,.2031,3.5534;-4.1171,-.1874,3.6464;-3.1243,1.0657,2.8576;-2.6331,.674,4.9304;-3.2136,1.5653,5.2455;-1.5743,.996,4.9004;-2.8301,-.3704,6.0384;-2.3355,-1.048,8.413;-3.2712,-1.6308,8.3495;-2.3264,-.5566,9.4104;-1.1743,-2.0576,8.3516;-1.2431,-2.5917,7.385;-1.3109,-2.8171,9.1478;.2085,-1.4212,8.4789;.2937,-.9196,9.465;.2923,-.6239,7.7192;1.3831,-2.3889,8.3038;2.3283,-1.8131,8.31;1.3154,-2.8565,7.303;1.4673,-3.4855,9.3656;1.5066,-3.0489,10.381;.591,-4.1552,9.3272;2.3702,-4.1088,9.2313;-3.5086,-1.3955,5.793;-2.3477,-.0195,7.3162;-1.6331,.8097,7.3757;-7.0538,1.6138,6.5864;-6.3297,2.3769,6.2507;-8.0565,2.0667,6.6594;-7.0851,.8202,5.8156;-6.6113,1.0301,7.927;-6.6476,1.8231,8.7019;-7.3374,.2576,8.2441;-5.2097,.4016,7.889;-5.1287,-.2743,7.0154;-5.0625,-.228,8.7856;-4.0952,1.4437,7.8488;-4.1083,2.4005,7.0735;-3.5227,1.5286,8.8091;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723271640063</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007667538786 0.001050787115 0.046164841006 0.008512740183</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013925412 -0.002341961 0.000060104 0.000138666 0.000231254 0.000343272 0.000547896 0.000661718 0.001012230 0.001648911 0.002493388 0.002916659 0.003331084 0.003958389 0.004751922 0.005560983 0.005819501 0.006772692 0.007383079 0.008293016 0.009798243 0.011047751 0.015285846 0.016398871 0.018059797 0.020706442 0.022329895 0.026006914 0.027356765 0.030079827 0.031709912 0.033417190 0.036698320 0.039523755 0.044177753 0.046290949 0.047054782 0.047794093 0.049158250 0.050171539 0.050655623 0.051884896 0.052632191 0.053250426 0.055072914 0.056086917 0.057678130 0.059171012 0.062427139 0.065820292 0.066296976 0.071231119 0.073634570 0.075658972 0.076309588 0.077155522 0.078441635 0.081608908 0.084134069 0.088527808 0.091648959 0.093559964 0.100121859 0.100790035 0.110407841 0.112822662 0.113325077 0.114423823 0.119169602 0.128088881 0.136197797 0.138048470 0.140194776 0.142264295 0.147945514 0.153545059 0.156172558 0.165510197 0.171412503 0.178754307 0.183523754 0.184519024 0.193978324 0.207685477 0.213207060 0.217926608 0.225503890 0.240324589 0.250375107 0.261598091 0.297090024 0.313204403 0.340633670 0.388300502 0.407663461 0.459960383 0.509743919 0.523030095 0.565341251 0.597327277 0.633356539 0.641476440 0.674995156 0.738677252 0.740280830 0.752651135 0.757111803 0.773166151 0.780771848 0.782175299 0.785099899 0.789362130 0.793704045 0.801430180 0.811036063 0.820114580 0.825633416 0.847167238 0.850302077 0.853260190 0.857088830 0.868076875 0.892569043 0.895481992 0.902667383 0.912145932 0.914682874 0.918012620 0.920236678 0.976477793 1.370927649 1.483050785</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.69853384" y3="-1.36883764" z3="1.59214652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.72517099" y3="-1.7727446" z3="1.65998667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.05121548" y3="-2.16552605" z3="1.18118855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.71708025" y3="-0.53921489" z3="0.85978291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.21469717" y3="-0.89303829" z3="2.96008802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.17193231" y3="-0.52748406" z3="2.87535141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.20502532" y3="-1.73948671" z3="3.66710376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09046478" y3="0.2059985" z3="3.56190594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12036251" y3="-0.18047145" z3="3.65765253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12526123" y3="1.06911602" z3="2.8666478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62924903" y3="0.67442955" z3="4.93771077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20508127" y3="1.56796629" z3="5.255004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.5691878" y3="0.99190382" z3="4.90460738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82655217" y3="-0.36972759" z3="6.04566353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33278539" y3="-1.0465232" z3="8.42096121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26863964" y3="-1.62915206" z3="8.35921366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.32147448" y3="-0.55524713" z3="9.41818206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.1720061" y3="-2.05678071" z3="8.35723458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24314205" y3="-2.59135564" z3="7.39116256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30689692" y3="-2.81618774" z3="9.15411942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21128607" y3="-1.42065629" z3="8.48092094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.30014487" y3="-0.920822" z3="9.46756041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29197824" y3="-0.62199001" z3="7.72225214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38521037" y3="-2.38794163" z3="8.29947274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33050195" y3="-1.81215721" z3="8.30366842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.31390146" y3="-2.85313998" z3="7.29783354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.47301325" y3="-3.48704935" z3="9.35833702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.51609342" y3="-3.05280799" z3="10.37459695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.59629142" y3="-4.1562734" z3="9.32156961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.37517409" y3="-4.11027473" z3="9.21926957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50210132" y3="-1.39614414" z3="5.80013885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34770515" y3="-0.01678116" z3="7.32473253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63277688" y3="0.81259914" z3="7.38447727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.0427596" y3="1.61248589" z3="6.56570281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.3186911" y3="2.37644186" z3="6.25308497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.05898031" y3="2.06213703" z3="6.61319781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.05348678" y3="0.82659607" z3="5.78899362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61516449" y3="1.02815683" z3="7.91209004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.65614263" y3="1.81768925" z3="8.68733933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3424511" y3="0.25226462" z3="8.22449384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21241684" y3="0.40090121" z3="7.88575551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.12347648" y3="-0.27415871" z3="7.01215464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.07299774" y3="-0.23123125" z3="8.77796795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09492989" y3="1.44058868" z3="7.85552029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10701844" y3="2.40209632" z3="7.08174819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53170649" y3="1.52229076" z3="8.81929596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6985,-1.3688,1.5921;-3.7252,-1.7727,1.66;-2.0512,-2.1655,1.1812;-2.7171,-.5392,.8598;-2.2147,-.893,2.9601;-1.1719,-.5275,2.8754;-2.205,-1.7395,3.6671;-3.0905,.206,3.5619;-4.1204,-.1805,3.6577;-3.1253,1.0691,2.8666;-2.6292,.6744,4.9377;-3.2051,1.568,5.255;-1.5692,.9919,4.9046;-2.8266,-.3697,6.0457;-2.3328,-1.0465,8.421;-3.2686,-1.6292,8.3592;-2.3215,-.5552,9.4182;-1.172,-2.0568,8.3572;-1.2431,-2.5914,7.3912;-1.3069,-2.8162,9.1541;.2113,-1.4207,8.4809;.3001,-.9208,9.4676;.292,-.622,7.7223;1.3852,-2.3879,8.2995;2.3305,-1.8122,8.3037;1.3139,-2.8531,7.2978;1.473,-3.487,9.3583;1.5161,-3.0528,10.3746;.5963,-4.1563,9.3216;2.3752,-4.1103,9.2193;-3.5021,-1.3961,5.8001;-2.3477,-.0168,7.3247;-1.6328,.8126,7.3845;-7.0428,1.6125,6.5657;-6.3187,2.3764,6.2531;-8.059,2.0621,6.6132;-7.0535,.8266,5.789;-6.6152,1.0282,7.9121;-6.6561,1.8177,8.6873;-7.3425,.2523,8.2245;-5.2124,.4009,7.8858;-5.1235,-.2742,7.0122;-5.073,-.2312,8.778;-4.0949,1.4406,7.8555;-4.107,2.4021,7.0817;-3.5317,1.5223,8.8193;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723275043885</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008442605044 0.001027987239 0.033534653783 0.008512717950</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013933093 -0.002083200 0.000060256 0.000138364 0.000230068 0.000343355 0.000547673 0.000662914 0.001014905 0.001661608 0.002496240 0.002918525 0.003331123 0.003958917 0.004793935 0.005561084 0.005822660 0.006926165 0.007432299 0.008331063 0.009808641 0.011047944 0.015602528 0.016601933 0.018060307 0.020742645 0.022435100 0.026188677 0.027357389 0.030092831 0.031712271 0.033419186 0.036705867 0.039523672 0.044264059 0.046373907 0.047237536 0.047968373 0.049445853 0.050171486 0.050663361 0.051887513 0.052631977 0.053248879 0.055303781 0.056184974 0.057747300 0.059171948 0.062750291 0.065819990 0.066296888 0.071274796 0.073637012 0.075660907 0.076310979 0.077156327 0.078454738 0.081610907 0.084423378 0.088542177 0.091657361 0.093561538 0.100135198 0.101429247 0.110410275 0.112823409 0.113329652 0.114670986 0.119169557 0.128092124 0.136198795 0.138100204 0.140198851 0.142304098 0.147944774 0.153544891 0.156178621 0.165508618 0.171418396 0.178755023 0.183648081 0.184520823 0.193981427 0.207913273 0.213207005 0.217927046 0.225555641 0.240351859 0.250387301 0.261597717 0.297090946 0.313219709 0.340633752 0.388467487 0.407686478 0.459962157 0.509817714 0.523035736 0.565341627 0.597327257 0.633356586 0.641488131 0.674995960 0.739071745 0.740301111 0.752651197 0.757111926 0.773167950 0.780828747 0.782326566 0.785105436 0.789362290 0.794730537 0.801432473 0.811036322 0.820114809 0.825633570 0.847401523 0.850304560 0.853286057 0.862569902 0.868133594 0.892575914 0.895509803 0.903701697 0.912310537 0.914931267 0.918015934 0.920236462 0.976478107 1.371349413 1.483092599</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71495802" y3="-1.36672726" z3="1.59965948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.74257641" y3="-1.76727287" z3="1.67230846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.07224365" y3="-2.16553404" z3="1.18557251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.73426301" y3="-0.536988" z3="0.86746875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.22303154" y3="-0.89283946" z3="2.96541659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.17960608" y3="-0.53036156" z3="2.87580785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21258614" y3="-1.73944879" z3="3.67208212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09242655" y3="0.20869517" z3="3.5719438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12349903" y3="-0.17397433" z3="3.67108631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12700874" y3="1.07264278" z3="2.87774099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62401869" y3="0.67450762" z3="4.94632609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19590052" y3="1.56956211" z3="5.26658305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56305159" y3="0.98867466" z3="4.90915004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82042635" y3="-0.36952122" z3="6.05449586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.33069059" y3="-1.04427627" z3="8.43050533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26698845" y3="-1.62660136" z3="8.37108314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.3168663" y3="-0.55313673" z3="9.42772604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17040032" y3="-2.05499126" z3="8.36359935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24459754" y3="-2.58974238" z3="7.39787109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30336463" y3="-2.81417185" z3="9.16095529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21362713" y3="-1.41949074" z3="8.48325912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.30659913" y3="-0.92196337" z3="9.47068144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29161406" y3="-0.61911641" z3="7.72607034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38677734" y3="-2.38650155" z3="8.29483488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33215888" y3="-1.81082788" z3="8.29744498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.31195739" y3="-2.84863725" z3="7.29203595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.47834841" y3="-3.48888323" z3="9.34997715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.52521874" y3="-3.05785969" z3="10.36744804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60146234" y3="-4.15794102" z3="9.31426719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.37996953" y3="-4.11173126" z3="9.20567539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49300456" y3="-1.39793739" z3="5.80853062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34713325" y3="-0.01432603" z3="7.33439358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63436353" y3="0.81679423" z3="7.39544917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.03352037" y3="1.61254054" z3="6.54282373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.30662868" y3="2.38168854" z3="6.23129045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.03980558" y3="2.05860323" z3="6.59649659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.04216341" y3="0.82588053" z3="5.76599841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61702152" y3="1.02442565" z3="7.88970047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.66844181" y3="1.81266048" z3="8.66664846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.34797041" y3="0.24919818" z3="8.19095919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21381476" y3="0.39607177" z3="7.88027053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.11518327" y3="-0.28216053" z3="7.00924144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.08515431" y3="-0.23261667" z3="8.78137946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09679668" y3="1.4367656" z3="7.85948203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10496506" y3="2.40035624" z3="7.08839899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5372304" y3="1.51696932" z3="8.82774851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.715,-1.3667,1.5997;-3.7426,-1.7673,1.6723;-2.0722,-2.1655,1.1856;-2.7343,-.537,.8675;-2.223,-.8928,2.9654;-1.1796,-.5304,2.8758;-2.2126,-1.7394,3.6721;-3.0924,.2087,3.5719;-4.1235,-.174,3.6711;-3.127,1.0726,2.8777;-2.624,.6745,4.9463;-3.1959,1.5696,5.2666;-1.5631,.9887,4.9092;-2.8204,-.3695,6.0545;-2.3307,-1.0443,8.4305;-3.267,-1.6266,8.3711;-2.3169,-.5531,9.4277;-1.1704,-2.055,8.3636;-1.2446,-2.5897,7.3979;-1.3034,-2.8142,9.161;.2136,-1.4195,8.4833;.3066,-.922,9.4707;.2916,-.6191,7.7261;1.3868,-2.3865,8.2948;2.3322,-1.8108,8.2974;1.312,-2.8486,7.292;1.4783,-3.4889,9.35;1.5252,-3.0579,10.3674;.6015,-4.1579,9.3143;2.38,-4.1117,9.2057;-3.493,-1.3979,5.8085;-2.3471,-.0143,7.3344;-1.6344,.8168,7.3954;-7.0335,1.6125,6.5428;-6.3066,2.3817,6.2313;-8.0398,2.0586,6.5965;-7.0422,.8259,5.766;-6.617,1.0244,7.8897;-6.6684,1.8127,8.6666;-7.348,.2492,8.191;-5.2138,.3961,7.8803;-5.1152,-.2822,7.0092;-5.0852,-.2326,8.7814;-4.0968,1.4368,7.8595;-4.105,2.4004,7.0884;-3.5372,1.517,8.8277;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723284835669</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005834855149 0.000858448261 0.046422176323 0.008515954496</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013930151 -0.001714564 0.000062312 0.000137860 0.000235158 0.000343668 0.000560545 0.000662580 0.001018340 0.001667706 0.002500569 0.002920724 0.003331293 0.003960021 0.004848754 0.005561237 0.005824900 0.006993092 0.007464526 0.008342567 0.009812376 0.011048001 0.015738870 0.016914642 0.018061015 0.020797537 0.022606469 0.026505605 0.027357734 0.030109187 0.031712965 0.033419922 0.036705256 0.039524326 0.044257346 0.046372886 0.047238500 0.048008208 0.049599604 0.050175101 0.050682463 0.051891489 0.052632776 0.053247696 0.055458960 0.056259315 0.057783618 0.059172195 0.063014286 0.065821879 0.066296835 0.071281083 0.073637893 0.075744695 0.076314439 0.077160303 0.078454393 0.081610702 0.084713100 0.088593326 0.091689131 0.093561488 0.100144309 0.101971815 0.110416347 0.112824365 0.113334159 0.114967320 0.119169670 0.128092739 0.136199041 0.138115092 0.140198959 0.142299348 0.147947716 0.153544819 0.156189999 0.165515614 0.171418624 0.178755611 0.183694142 0.184521340 0.193982406 0.208063119 0.213207202 0.217928268 0.225571141 0.240405852 0.250496760 0.261602230 0.297095995 0.313264592 0.340634512 0.389162743 0.407796454 0.459966059 0.510170758 0.523075463 0.565343264 0.597327665 0.633357159 0.641502718 0.674996921 0.739321510 0.740319636 0.752651180 0.757112266 0.773168003 0.780831101 0.782344209 0.785106926 0.789362455 0.795518062 0.801433350 0.811036676 0.820114836 0.825634186 0.847500448 0.850305351 0.853292215 0.866160523 0.868311809 0.892579602 0.895534779 0.905116070 0.912469157 0.915193471 0.918022425 0.920236180 0.976486127 1.371381554 1.483122693</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.72854315" y3="-1.36535261" z3="1.60683053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.75664632" y3="-1.76378471" z3="1.68314903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.08905611" y3="-2.16538129" z3="1.19028073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.74881331" y3="-0.53547273" z3="0.87482814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.23073791" y3="-0.89284615" z3="2.97087794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.18693666" y3="-0.53250177" z3="2.87753176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21964908" y3="-1.7395398" z3="3.67744198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09579668" y3="0.21027308" z3="3.58062628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12732887" y3="-0.17015752" z3="3.68245523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13045761" y3="1.07469241" z3="2.88699085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62259579" y3="0.67427235" z3="4.9539201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19062422" y3="1.57106344" z3="5.27583438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56069336" y3="0.98502345" z3="4.91405707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81850157" y3="-0.36983808" z3="6.06214724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.32862445" y3="-1.04243086" z3="8.43935507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26570319" y3="-1.62399902" z3="8.38288312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.31205579" y3="-0.55035845" z3="9.43600722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16904825" y3="-2.05356273" z3="8.36937722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24652649" y3="-2.58780252" z3="7.40357695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29971803" y3="-2.81286331" z3="9.16696941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21527657" y3="-1.41805273" z3="8.48497806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.31212939" y3="-0.92267811" z3="9.47311985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.29016667" y3="-0.6160153" z3="7.72925064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38770398" y3="-2.3844114" z3="8.28944759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33307193" y3="-1.80872776" z3="8.29066063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.30933772" y3="-2.84322827" z3="7.28538994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48285494" y3="-3.49033021" z3="9.34054131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.53306946" y3="-3.06278514" z3="10.35932049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.6058995" y3="-4.15934914" z3="9.30544354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38404726" y3="-4.11257383" z3="9.19105568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48793606" y3="-1.40013775" z3="5.81569245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3461457" y3="-0.01324486" z3="7.34278141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63642003" y3="0.82010502" z3="7.40418999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.01756266" y3="1.61018883" z3="6.52317606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.29007744" y3="2.38015468" z3="6.22591836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.03646962" y3="2.05443841" z3="6.55007442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-7.00823239" y3="0.82506919" z3="5.74399541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.6189915" y3="1.02188795" z3="7.87657767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.6805066" y3="1.81161168" z3="8.65290322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35313095" y3="0.24599157" z3="8.16678384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21651461" y3="0.39535191" z3="7.87922462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.11459635" y3="-0.28372315" z3="7.0107874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.09349554" y3="-0.23380796" z3="8.77661903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0974547" y3="1.43458413" z3="7.86629549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09800206" y3="2.40125397" z3="7.10123951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54393319" y3="1.50945132" z3="8.83728136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7285,-1.3654,1.6068;-3.7566,-1.7638,1.6831;-2.0891,-2.1654,1.1903;-2.7488,-.5355,.8748;-2.2307,-.8928,2.9709;-1.1869,-.5325,2.8775;-2.2196,-1.7395,3.6774;-3.0958,.2103,3.5806;-4.1273,-.1702,3.6825;-3.1305,1.0747,2.887;-2.6226,.6743,4.9539;-3.1906,1.5711,5.2758;-1.5607,.985,4.9141;-2.8185,-.3698,6.0621;-2.3286,-1.0424,8.4394;-3.2657,-1.624,8.3829;-2.3121,-.5504,9.436;-1.169,-2.0536,8.3694;-1.2465,-2.5878,7.4036;-1.2997,-2.8129,9.167;.2153,-1.4181,8.485;.3121,-.9227,9.4731;.2902,-.616,7.7293;1.3877,-2.3844,8.2894;2.3331,-1.8087,8.2907;1.3093,-2.8432,7.2854;1.4829,-3.4903,9.3405;1.5331,-3.0628,10.3593;.6059,-4.1593,9.3054;2.384,-4.1126,9.1911;-3.4879,-1.4001,5.8157;-2.3461,-.0132,7.3428;-1.6364,.8201,7.4042;-7.0176,1.6102,6.5232;-6.2901,2.3802,6.2259;-8.0365,2.0544,6.5501;-7.0082,.8251,5.744;-6.619,1.0219,7.8766;-6.6805,1.8116,8.6529;-7.3531,.246,8.1668;-5.2165,.3954,7.8792;-5.1146,-.2837,7.0108;-5.0935,-.2338,8.7766;-4.0975,1.4346,7.8663;-4.098,2.4013,7.1012;-3.5439,1.5095,8.8373;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723286240637</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005043836268 0.000874310726 0.026644230694 0.008513641629</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013931198 -0.001616975 0.000061937 0.000137708 0.000243966 0.000344249 0.000563760 0.000663079 0.001020629 0.001668517 0.002501312 0.002921929 0.003331235 0.003962904 0.004891123 0.005561151 0.005826965 0.007042161 0.007481686 0.008350369 0.009812913 0.011047575 0.015766837 0.017061157 0.018061496 0.020844106 0.022761522 0.026915097 0.027358466 0.030133552 0.031718937 0.033426136 0.036706318 0.039525406 0.044260802 0.046377364 0.047250587 0.048005073 0.049609295 0.050178967 0.050692538 0.051889410 0.052634221 0.053246726 0.055533614 0.056302958 0.057796760 0.059172550 0.063230505 0.065834872 0.066297367 0.071281943 0.073645755 0.075928091 0.076322468 0.077170000 0.078457592 0.081610498 0.084937255 0.088679878 0.091744946 0.093562545 0.100151797 0.102365643 0.110424547 0.112825186 0.113338626 0.115301125 0.119169670 0.128092830 0.136199895 0.138114775 0.140199035 0.142313383 0.147946857 0.153544621 0.156204382 0.165601354 0.171431296 0.178756145 0.183693977 0.184521559 0.193982381 0.208069776 0.213208867 0.217927431 0.225576192 0.240412372 0.250537257 0.261603863 0.297101376 0.313308268 0.340634596 0.390518440 0.408031931 0.459973998 0.511014425 0.523188311 0.565347074 0.597330092 0.633357250 0.641511521 0.674999797 0.739321500 0.740319398 0.752651320 0.757112279 0.773168014 0.780841901 0.782351320 0.785107284 0.789362725 0.795981912 0.801434177 0.811037044 0.820115018 0.825634242 0.847499365 0.850311220 0.853294643 0.867196677 0.868619341 0.892583555 0.895550504 0.907002291 0.912622359 0.915346268 0.918024605 0.920235947 0.976504855 1.372065439 1.483270905</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.74296972" y3="-1.36235989" z3="1.61393376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77150341" y3="-1.75902211" z3="1.69410204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.10653754" y3="-2.1632687" z3="1.19434241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.76471062" y3="-0.53196399" z3="0.88256816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.23896867" y3="-0.8916065" z3="2.97632619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.1949949" y3="-0.53277568" z3="2.87916104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.22650877" y3="-1.73862099" z3="3.68238645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09984767" y3="0.21245709" z3="3.59021645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13181311" y3="-0.16614604" z3="3.69548693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13584482" y3="1.07740188" z3="2.89735906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62054686" y3="0.67506383" z3="4.96196812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18599252" y3="1.5727407" z3="5.28633718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55828419" y3="0.98404473" z3="4.91806634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81375408" y3="-0.36884277" z3="6.07068357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.32597726" y3="-1.03889654" z3="8.44859393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26402261" y3="-1.61922514" z3="8.395303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30552207" y3="-0.54636801" z3="9.44487502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16776701" y3="-2.0518824" z3="8.37610339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.24833536" y3="-2.58695296" z3="7.41111937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29711356" y3="-2.81057197" z3="9.17461948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21764192" y3="-1.41771615" z3="8.48749012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.31902938" y3="-0.92480547" z3="9.47642854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28958925" y3="-0.61392706" z3="7.7333584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38888324" y3="-2.38403342" z3="8.28446516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33457826" y3="-1.80881911" z3="8.28441419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.30677772" y3="-2.83920291" z3="7.27904771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48699099" y3="-3.49376144" z3="9.33128288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.54071239" y3="-3.06989005" z3="10.35143871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60951954" y3="-4.16217626" z3="9.29657018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38740435" y3="-4.1159661" z3="9.17663511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47948666" y3="-1.40143517" z3="5.82489394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3460467" y3="-0.00929097" z3="7.35176337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63673878" y3="0.82485909" z3="7.41324484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-7.00698333" y3="1.60609957" z3="6.49653183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.27647284" y3="2.37742623" z3="6.20644914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.01740831" y3="2.04681953" z3="6.52363631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.99048" y3="0.82089254" z3="5.71930368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.62092716" y3="1.02081448" z3="7.85439838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.68763934" y3="1.80765191" z3="8.62868695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35725218" y3="0.2433865" z3="8.14327753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21772785" y3="0.39291751" z3="7.8772217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.10255635" y3="-0.29191717" z3="7.01302823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.10657473" y3="-0.23045178" z3="8.78387949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09794426" y3="1.43193889" z3="7.87266964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10016923" y3="2.40191694" z3="7.10747563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54967336" y3="1.50592157" z3="8.84674468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.743,-1.3624,1.6139;-3.7715,-1.759,1.6941;-2.1065,-2.1633,1.1943;-2.7647,-.532,.8826;-2.239,-.8916,2.9763;-1.195,-.5328,2.8792;-2.2265,-1.7386,3.6824;-3.0998,.2125,3.5902;-4.1318,-.1661,3.6955;-3.1358,1.0774,2.8974;-2.6205,.6751,4.962;-3.186,1.5727,5.2863;-1.5583,.984,4.9181;-2.8138,-.3688,6.0707;-2.326,-1.0389,8.4486;-3.264,-1.6192,8.3953;-2.3055,-.5464,9.4449;-1.1678,-2.0519,8.3761;-1.2483,-2.587,7.4111;-1.2971,-2.8106,9.1746;.2176,-1.4177,8.4875;.319,-.9248,9.4764;.2896,-.6139,7.7334;1.3889,-2.384,8.2845;2.3346,-1.8088,8.2844;1.3068,-2.8392,7.279;1.487,-3.4938,9.3313;1.5407,-3.0699,10.3514;.6095,-4.1622,9.2966;2.3874,-4.116,9.1766;-3.4795,-1.4014,5.8249;-2.346,-.0093,7.3518;-1.6367,.8249,7.4132;-7.007,1.6061,6.4965;-6.2765,2.3774,6.2064;-8.0174,2.0468,6.5236;-6.9905,.8209,5.7193;-6.6209,1.0208,7.8544;-6.6876,1.8077,8.6287;-7.3573,.2434,8.1433;-5.2177,.3929,7.8772;-5.1026,-.2919,7.013;-5.1066,-.2305,8.7839;-4.0979,1.4319,7.8727;-4.1002,2.4019,7.1075;-3.5497,1.5059,8.8467;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723282023540</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004550324406 0.000891501207 0.044701574181 0.008511149034</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.013946393 -0.001855332 0.000068285 0.000137920 0.000259895 0.000344238 0.000565882 0.000662027 0.001020678 0.001668649 0.002501301 0.002922344 0.003331061 0.003964955 0.004912455 0.005561142 0.005827842 0.007080289 0.007493197 0.008364198 0.009814441 0.011047443 0.015766954 0.017106575 0.018061602 0.020872674 0.022878604 0.027342501 0.027365250 0.030161273 0.031729863 0.033438796 0.036708994 0.039526151 0.044272669 0.046398673 0.047318235 0.048026135 0.049617492 0.050179880 0.050693248 0.051893472 0.052635413 0.053247184 0.055544365 0.056295643 0.057796082 0.059172496 0.063370688 0.065862728 0.066298294 0.071313750 0.073689694 0.076156688 0.076362888 0.077189569 0.078462322 0.081610342 0.085181329 0.088821427 0.091817176 0.093566339 0.100159484 0.102646807 0.110431830 0.112825556 0.113341241 0.115578003 0.119169862 0.128092795 0.136202001 0.138117646 0.140200368 0.142362469 0.147946679 0.153544769 0.156228421 0.165797914 0.171474447 0.178756121 0.183712711 0.184522731 0.193983005 0.208099737 0.213209761 0.217936072 0.225652753 0.240418075 0.250654547 0.261606318 0.297102318 0.313329007 0.340635424 0.392143421 0.408382675 0.459983237 0.512214401 0.523365757 0.565349945 0.597331891 0.633358563 0.641620325 0.675005917 0.739326255 0.740321465 0.752651387 0.757112300 0.773169228 0.780917748 0.782545523 0.785110939 0.789362908 0.796244943 0.801436515 0.811038781 0.820115223 0.825635656 0.847522797 0.850319631 0.853295865 0.867375140 0.868757002 0.892583651 0.895555692 0.908643023 0.912807688 0.915411876 0.918025837 0.920235674 0.976512533 1.373309626 1.483408332</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.75457543" y3="-1.35966953" z3="1.62023685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.78287113" y3="-1.7560936" z3="1.70372191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.11992321" y3="-2.16040459" z3="1.19769206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.7786711" y3="-0.52870549" z3="0.88959079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.24542365" y3="-0.8902517" z3="2.98120595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.20162055" y3="-0.53192847" z3="2.88042419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23084781" y3="-1.73778213" z3="3.68661461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10331062" y3="0.2139807" z3="3.59913302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13518008" y3="-0.16390801" z3="3.7077874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1412697" y3="1.07945588" z3="2.90702819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61866173" y3="0.67543505" z3="4.96942442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18126011" y3="1.57401211" z3="5.29626809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55592429" y3="0.9825329" z3="4.92223073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81046291" y3="-0.36803479" z3="6.07860012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.32479792" y3="-1.0342245" z3="8.45799156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26410016" y3="-1.61308157" z3="8.40871329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.30043869" y3="-0.54073253" z3="9.4536375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16828378" y3="-2.04856268" z3="8.38145288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.2530377" y3="-2.58286394" z3="7.41632127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29604738" y3="-2.80737208" z3="9.17997794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21833026" y3="-1.4162446" z3="8.48887836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.32438538" y3="-0.92625141" z3="9.47877646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28842548" y3="-0.61036929" z3="7.73674336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.3877244" y3="-2.38324305" z3="8.27824517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.3340097" y3="-1.80898225" z3="8.27689039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.30156538" y3="-2.83466925" z3="7.27147201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48873754" y3="-3.49696885" z3="9.32048839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.54652165" y3="-3.07710636" z3="10.34209728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.61075811" y3="-4.16472976" z3="9.28633496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38819962" y3="-4.11908069" z3="9.16015412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47320027" y3="-1.40298616" z3="5.8332494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34605293" y3="-0.00558008" z3="7.36053206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63900507" y3="0.83009264" z3="7.42211059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.99056927" y3="1.59687077" z3="6.47749569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.26184499" y3="2.37175208" z3="6.19170403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-8.01199861" y3="2.03438755" z3="6.47893474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.95951783" y3="0.8067821" z3="5.70350401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61949781" y3="1.0178685" z3="7.84255044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70064622" y3="1.81608778" z3="8.61167632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35952287" y3="0.2442266" z3="8.12019617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21793683" y3="0.39134358" z3="7.880047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.1022311" y3="-0.29740478" z3="7.02157868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.11305418" y3="-0.22844528" z3="8.7875311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09649443" y3="1.42925814" z3="7.87743228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09274891" y3="2.40039153" z3="7.11709801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55159709" y3="1.50165573" z3="8.85411449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7546,-1.3597,1.6202;-3.7829,-1.7561,1.7037;-2.1199,-2.1604,1.1977;-2.7787,-.5287,.8896;-2.2454,-.8903,2.9812;-1.2016,-.5319,2.8804;-2.2308,-1.7378,3.6866;-3.1033,.214,3.5991;-4.1352,-.1639,3.7078;-3.1413,1.0795,2.907;-2.6187,.6754,4.9694;-3.1813,1.574,5.2963;-1.5559,.9825,4.9222;-2.8105,-.368,6.0786;-2.3248,-1.0342,8.458;-3.2641,-1.6131,8.4087;-2.3004,-.5407,9.4536;-1.1683,-2.0486,8.3815;-1.253,-2.5829,7.4163;-1.296,-2.8074,9.18;.2183,-1.4162,8.4889;.3244,-.9263,9.4788;.2884,-.6104,7.7367;1.3877,-2.3832,8.2782;2.334,-1.809,8.2769;1.3016,-2.8347,7.2715;1.4887,-3.497,9.3205;1.5465,-3.0771,10.3421;.6108,-4.1647,9.2863;2.3882,-4.1191,9.1602;-3.4732,-1.403,5.8332;-2.3461,-.0056,7.3605;-1.639,.8301,7.4221;-6.9906,1.5969,6.4775;-6.2618,2.3718,6.1917;-8.012,2.0344,6.4789;-6.9595,.8068,5.7035;-6.6195,1.0179,7.8426;-6.7006,1.8161,8.6117;-7.3595,.2442,8.1202;-5.2179,.3913,7.88;-5.1022,-.2974,7.0216;-5.1131,-.2284,8.7875;-4.0965,1.4293,7.8774;-4.0927,2.4004,7.1171;-3.5516,1.5017,8.8541;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723274558216</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004370075292 0.000963560560 0.031277365039 0.008515378897</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.014098528 -0.002028154 0.000067822 0.000139224 0.000259919 0.000345136 0.000573886 0.000662056 0.001021080 0.001672104 0.002501608 0.002922288 0.003331205 0.003964813 0.004920770 0.005561070 0.005828550 0.007109711 0.007522103 0.008385242 0.009823339 0.011047546 0.015769332 0.017101623 0.018062549 0.020883504 0.022933479 0.027358032 0.027695737 0.030195827 0.031737993 0.033446665 0.036708874 0.039526518 0.044277514 0.046418400 0.047404913 0.048061721 0.049654348 0.050180782 0.050693263 0.051905929 0.052635550 0.053247369 0.055543106 0.056326673 0.057799659 0.059172801 0.063534853 0.065913297 0.066302261 0.071402819 0.073805362 0.076257132 0.076497012 0.077224478 0.078462935 0.081610238 0.085435651 0.089010947 0.091901899 0.093568791 0.100167240 0.102891239 0.110435417 0.112825676 0.113342599 0.115743916 0.119169840 0.128092740 0.136202978 0.138126435 0.140204155 0.142417115 0.147946111 0.153545200 0.156272736 0.166217522 0.171589145 0.178756377 0.183817599 0.184527842 0.193985503 0.208107925 0.213212534 0.217943026 0.225804580 0.240427625 0.250640901 0.261607209 0.297102703 0.313335254 0.340635372 0.394165349 0.408938140 0.459990247 0.513773949 0.523653666 0.565351715 0.597333357 0.633358860 0.641867201 0.675009006 0.739336037 0.740326592 0.752651572 0.757112537 0.773171426 0.781015380 0.782928003 0.785118274 0.789363070 0.796652804 0.801451437 0.811044686 0.820116333 0.825636066 0.847657405 0.850340698 0.853296419 0.867373342 0.868754634 0.892584681 0.895556212 0.910269241 0.913276560 0.915494550 0.918025844 0.920235676 0.976512919 1.374212254 1.483457734</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">44</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.76573448" y3="-1.35634147" z3="1.62740932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79382575" y3="-1.75272647" z3="1.71448249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13265417" y3="-2.15697207" z3="1.20226436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.79240103" y3="-0.52506994" z3="0.89718274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.25181043" y3="-0.88734494" z3="2.98668034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.20821242" y3="-0.52932598" z3="2.88242286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23529301" y3="-1.73491988" z3="3.69199754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1074133" y3="0.21704145" z3="3.60729083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13902066" y3="-0.16061793" z3="3.71913146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14722893" y3="1.08253194" z3="2.91527577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61891092" y3="0.67846771" z3="4.97613388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17941878" y3="1.57816673" z3="5.30288695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55578252" y3="0.98369408" z3="4.92605294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80858266" y3="-0.36466327" z3="6.08625112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.32093442" y3="-1.0288769" z3="8.46598223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26194444" y3="-1.60525732" z3="8.42047272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.29215696" y3="-0.53369073" z3="9.46063682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16738324" y3="-2.04654855" z3="8.38777593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.25614676" y3="-2.58153569" z3="7.42346538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29470509" y3="-2.80428272" z3="9.18749123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22072698" y3="-1.41684888" z3="8.49044937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.33184726" y3="-0.92876659" z3="9.48076726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28864091" y3="-0.60985262" z3="7.73935617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38741818" y3="-2.38540469" z3="8.27273636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33491857" y3="-1.81309524" z3="8.26983931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.29664142" y3="-2.83346628" z3="7.26485684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48929743" y3="-3.50267241" z3="9.31112157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55102521" y3="-3.08613395" z3="10.33385556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60959782" y3="-4.16831427" z3="9.27750332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.386901" y3="-4.12633852" z3="9.14602422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46959223" y3="-1.40065821" z3="5.84188856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34242923" y3="-0.00168754" z3="7.36701403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63714522" y3="0.83572594" z3="7.42808832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.98071035" y3="1.58455771" z3="6.45062348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.2491855" y3="2.35713264" z3="6.1697332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.99546719" y3="2.01775632" z3="6.44765737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.93882328" y3="0.79187385" z3="5.68254695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.62236499" y3="1.01743543" z3="7.8240325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70488418" y3="1.81109414" z3="8.58705203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36249297" y3="0.24100323" z3="8.10690254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21860509" y3="0.39352626" z3="7.88256751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.08787379" y3="-0.30429071" z3="7.03068736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.12168441" y3="-0.2177076" z3="8.79749822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0989287" y3="1.43362789" z3="7.88596476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09675631" y3="2.40651233" z3="7.12571442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55448018" y3="1.50371995" z3="8.86212009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7657,-1.3563,1.6274;-3.7938,-1.7527,1.7145;-2.1327,-2.157,1.2023;-2.7924,-.5251,.8972;-2.2518,-.8873,2.9867;-1.2082,-.5293,2.8824;-2.2353,-1.7349,3.692;-3.1074,.217,3.6073;-4.139,-.1606,3.7191;-3.1472,1.0825,2.9153;-2.6189,.6785,4.9761;-3.1794,1.5782,5.3029;-1.5558,.9837,4.9261;-2.8086,-.3647,6.0863;-2.3209,-1.0289,8.466;-3.2619,-1.6053,8.4205;-2.2922,-.5337,9.4606;-1.1674,-2.0465,8.3878;-1.2561,-2.5815,7.4235;-1.2947,-2.8043,9.1875;.2207,-1.4168,8.4904;.3318,-.9288,9.4808;.2886,-.6099,7.7394;1.3874,-2.3854,8.2727;2.3349,-1.8131,8.2698;1.2966,-2.8335,7.2649;1.4893,-3.5027,9.3111;1.551,-3.0861,10.3339;.6096,-4.1683,9.2775;2.3869,-4.1263,9.146;-3.4696,-1.4007,5.8419;-2.3424,-.0017,7.367;-1.6371,.8357,7.4281;-6.9807,1.5846,6.4506;-6.2492,2.3571,6.1697;-7.9955,2.0178,6.4477;-6.9388,.7919,5.6825;-6.6224,1.0174,7.824;-6.7049,1.8111,8.5871;-7.3625,.241,8.1069;-5.2186,.3935,7.8826;-5.0879,-.3043,7.0307;-5.1217,-.2177,8.7975;-4.0989,1.4336,7.886;-4.0968,2.4065,7.1257;-3.5545,1.5037,8.8621;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723274342373</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003748613120 0.000922665276 0.039785632771 0.008511872555</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.014500025 -0.002044270 0.000072242 0.000139596 0.000291500 0.000344079 0.000586193 0.000665458 0.001023007 0.001686468 0.002507057 0.002922686 0.003343367 0.003968862 0.004919198 0.005562802 0.005828418 0.007120143 0.007553455 0.008405845 0.009849641 0.011047245 0.015774533 0.017101775 0.018062819 0.020884986 0.022954231 0.027358280 0.027927474 0.030227176 0.031743395 0.033452583 0.036709200 0.039526504 0.044278261 0.046426736 0.047440118 0.048110617 0.049722463 0.050180314 0.050696993 0.051906813 0.052635363 0.053245125 0.055548981 0.056499672 0.057814193 0.059173106 0.063611201 0.065965954 0.066307463 0.071579432 0.074081243 0.076273415 0.076613645 0.077263338 0.078463917 0.081610312 0.085642008 0.089173701 0.091972059 0.093570628 0.100171949 0.103059168 0.110436772 0.112825605 0.113342691 0.115790018 0.119169908 0.128093037 0.136202700 0.138163167 0.140210425 0.142464248 0.147945902 0.153546719 0.156336799 0.166779731 0.171774316 0.178758012 0.183989570 0.184539108 0.193989241 0.208157083 0.213212454 0.217966611 0.226064971 0.240447779 0.250644669 0.261610303 0.297106522 0.313335020 0.340635370 0.395896168 0.409589751 0.459997079 0.515231066 0.524023998 0.565352088 0.597333827 0.633361483 0.642366929 0.675011647 0.739349860 0.740332308 0.752651566 0.757112835 0.773173500 0.781085856 0.783606457 0.785154970 0.789363521 0.797170071 0.801477039 0.811054005 0.820116741 0.825637096 0.847815878 0.850356089 0.853296402 0.867439107 0.868837547 0.892584582 0.895556021 0.911126437 0.914168862 0.915744699 0.918026895 0.920235656 0.976515667 1.374632340 1.483458253</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">45</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.77306227" y3="-1.35292915" z3="1.63276964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80037003" y3="-1.75050967" z3="1.72289716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14040564" y3="-2.15261588" z3="1.20518764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.80300166" y3="-0.52127839" z3="0.9030892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.25522729" y3="-0.88414595" z3="2.99068449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.21229977" y3="-0.5251967" z3="2.88328362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23563159" y3="-1.73198883" z3="3.69561963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10945561" y3="0.21952904" z3="3.61474154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14084313" y3="-0.15820428" z3="3.72910877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.15161508" y3="1.08559419" z3="2.92362034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61631059" y3="0.68000466" z3="4.98239786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17484043" y3="1.58017835" z3="5.31253231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55296448" y3="0.98421988" z3="4.92947987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80451319" y3="-0.36230395" z3="6.09287139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.32092437" y3="-1.02257602" z3="8.47409465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26266477" y3="-1.59795764" z3="8.4327696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.28736846" y3="-0.52757905" z3="9.46861557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.16925759" y3="-2.0418726" z3="8.39054469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.26256152" y3="-2.57587364" z3="7.4260878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29531453" y3="-2.80007382" z3="9.18992869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2206137" y3="-1.41541321" z3="8.48940765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.33652187" y3="-0.92975915" z3="9.48035418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28778702" y3="-0.6069177" z3="7.73985842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38432608" y3="-2.38618386" z3="8.26553879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33313109" y3="-1.81610935" z3="8.26134066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.28949903" y3="-2.831283" z3="7.25676394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48686958" y3="-3.50647833" z3="9.30052841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55257065" y3="-3.09299526" z3="10.32425727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.60576536" y3="-4.17017972" z3="9.26762962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.38260904" y3="-4.13152248" z3="9.13106578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46179989" y3="-1.40106135" z3="5.84938651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34585966" y3="0.00540095" z3="7.37551913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64043079" y3="0.84260223" z3="7.43624432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.96552781" y3="1.56880018" z3="6.43365694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.23606818" y3="2.34341638" z3="6.14892077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.98865211" y3="1.99952453" z3="6.40787174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.91326572" y3="0.76324307" z3="5.6752504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61786375" y3="1.01678172" z3="7.81611758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71275028" y3="1.83089387" z3="8.56775776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3620663" y3="0.24808" z3="8.09814099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21778394" y3="0.39016454" z3="7.88992144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.08696685" y3="-0.31428527" z3="7.04601316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.13108083" y3="-0.21220106" z3="8.81455725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0952123" y3="1.4279552" z3="7.88802966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09513728" y3="2.40056158" z3="7.12666738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55456455" y3="1.50300115" z3="8.86676404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7731,-1.3529,1.6328;-3.8004,-1.7505,1.7229;-2.1404,-2.1526,1.2052;-2.803,-.5213,.9031;-2.2552,-.8841,2.9907;-1.2123,-.5252,2.8833;-2.2356,-1.732,3.6956;-3.1095,.2195,3.6147;-4.1408,-.1582,3.7291;-3.1516,1.0856,2.9236;-2.6163,.68,4.9824;-3.1748,1.5802,5.3125;-1.553,.9842,4.9295;-2.8045,-.3623,6.0929;-2.3209,-1.0226,8.4741;-3.2627,-1.598,8.4328;-2.2874,-.5276,9.4686;-1.1693,-2.0419,8.3905;-1.2626,-2.5759,7.4261;-1.2953,-2.8001,9.1899;.2206,-1.4154,8.4894;.3365,-.9298,9.4804;.2878,-.6069,7.7399;1.3843,-2.3862,8.2655;2.3331,-1.8161,8.2613;1.2895,-2.8313,7.2568;1.4869,-3.5065,9.3005;1.5526,-3.093,10.3243;.6058,-4.1702,9.2676;2.3826,-4.1315,9.1311;-3.4618,-1.4011,5.8494;-2.3459,.0054,7.3755;-1.6404,.8426,7.4362;-6.9655,1.5688,6.4337;-6.2361,2.3434,6.1489;-7.9887,1.9995,6.4079;-6.9133,.7632,5.6753;-6.6179,1.0168,7.8161;-6.7128,1.8309,8.5678;-7.3621,.2481,8.0981;-5.2178,.3902,7.8899;-5.087,-.3143,7.046;-5.1311,-.2122,8.8146;-4.0952,1.428,7.888;-4.0951,2.4006,7.1267;-3.5546,1.503,8.8668;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723271316456</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005344517880 0.000969168105 0.028113770517 0.008511745563</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.014938116 -0.002060756 0.000070280 0.000145154 0.000271754 0.000344009 0.000634291 0.000668965 0.001033001 0.001725245 0.002517779 0.002924278 0.003376405 0.004004147 0.004919753 0.005566981 0.005828478 0.007126605 0.007698201 0.008438728 0.009946678 0.011056156 0.015783652 0.017101654 0.018063120 0.020884850 0.022958724 0.027358241 0.028023674 0.030244274 0.031747706 0.033456637 0.036709072 0.039526552 0.044291191 0.046426762 0.047440085 0.048123928 0.049736364 0.050180051 0.050697314 0.051915924 0.052635057 0.053264623 0.055546519 0.056637192 0.057817893 0.059174804 0.063687710 0.066014093 0.066315277 0.071814137 0.074700366 0.076279605 0.076648821 0.077293111 0.078489502 0.081610248 0.085772546 0.089248413 0.091996459 0.093570360 0.100172828 0.103114749 0.110436724 0.112825581 0.113342715 0.115787475 0.119170399 0.128095318 0.136210205 0.138303458 0.140222654 0.142458932 0.147961412 0.153547030 0.156401184 0.167502696 0.172115557 0.178759881 0.184148591 0.184561272 0.193996221 0.208139992 0.213213252 0.217973534 0.226344536 0.240610035 0.251098486 0.261629412 0.297114514 0.313336556 0.340636292 0.397110144 0.410203660 0.460000045 0.516293581 0.524413822 0.565352156 0.597333867 0.633361709 0.642737310 0.675011740 0.739362979 0.740335791 0.752651574 0.757113577 0.773173848 0.781102721 0.783778347 0.785167330 0.789363617 0.797996200 0.801527106 0.811058191 0.820116962 0.825637098 0.847892399 0.850357912 0.853297234 0.867726798 0.869516170 0.892584816 0.895558175 0.911364971 0.914664650 0.917397927 0.918054999 0.920236667 0.976521331 1.374629326 1.483523133</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">46</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78088957" y3="-1.35014615" z3="1.64032832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8077844" y3="-1.74832772" z3="1.73351518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14899618" y3="-2.14971879" z3="1.21141519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81325462" y3="-0.51890767" z3="0.91027311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.25950034" y3="-0.88027369" z3="2.99642446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.21675123" y3="-0.52144571" z3="2.88588674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23814031" y3="-1.72772599" z3="3.70177639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11209707" y3="0.22388068" z3="3.62174544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1432151" y3="-0.15373045" z3="3.7387621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.15551439" y3="1.08949681" z3="2.9301409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6165993" y3="0.68522708" z3="4.98808768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17325578" y3="1.58640202" z3="5.31707159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55287134" y3="0.9875861" z3="4.93328768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80436773" y3="-0.35602302" z3="6.09988656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31769141" y3="-1.01475621" z3="8.48100636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26175911" y3="-1.58691757" z3="8.44410206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.27916087" y3="-0.51815069" z3="9.47449503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17005834" y3="-2.03807903" z3="8.39450121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.26880076" y3="-2.57243595" z3="7.43078612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.2958762" y3="-2.79511004" z3="9.1950036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22212249" y3="-1.41584252" z3="8.48762579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.34353884" y3="-0.93045069" z3="9.47806481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28896576" y3="-0.6076146" z3="7.73767625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.38154488" y3="-2.39066184" z3="8.25894852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33257707" y3="-1.82416435" z3="8.25241345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.28177186" y3="-2.83426937" z3="7.24995295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.48270035" y3="-3.51267143" z3="9.29227054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55229859" y3="-3.10066941" z3="10.31632987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.59908522" y3="-4.17322597" z3="9.26075166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.37581335" y3="-4.14071573" z3="9.11971043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46163975" y3="-1.39491291" z3="5.85773294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34217182" y3="0.01167392" z3="7.38122174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63722809" y3="0.84940518" z3="7.44085344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.9568643" y3="1.54754864" z3="6.41077421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.22562463" y3="2.31876169" z3="6.12443822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.97460902" y3="1.97484041" z3="6.37975797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.90051816" y3="0.74107833" z3="5.66185031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61903176" y3="1.01337282" z3="7.80216945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71629968" y3="1.82567362" z3="8.54494112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36241145" y3="0.24315147" z3="8.08726629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21524958" y3="0.39496113" z3="7.89633954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.07420019" y3="-0.31848965" z3="7.06007248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.13042074" y3="-0.20053742" z3="8.81834262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09494981" y3="1.43568644" z3="7.89696024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09336188" y3="2.40890683" z3="7.13840719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55322228" y3="1.50877763" z3="8.87452048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7809,-1.3501,1.6403;-3.8078,-1.7483,1.7335;-2.149,-2.1497,1.2114;-2.8133,-.5189,.9103;-2.2595,-.8803,2.9964;-1.2168,-.5214,2.8859;-2.2381,-1.7277,3.7018;-3.1121,.2239,3.6217;-4.1432,-.1537,3.7388;-3.1555,1.0895,2.9301;-2.6166,.6852,4.9881;-3.1733,1.5864,5.3171;-1.5529,.9876,4.9333;-2.8044,-.356,6.0999;-2.3177,-1.0148,8.481;-3.2618,-1.5869,8.4441;-2.2792,-.5182,9.4745;-1.1701,-2.0381,8.3945;-1.2688,-2.5724,7.4308;-1.2959,-2.7951,9.195;.2221,-1.4158,8.4876;.3435,-.9305,9.4781;.289,-.6076,7.7377;1.3815,-2.3907,8.2589;2.3326,-1.8242,8.2524;1.2818,-2.8343,7.25;1.4827,-3.5127,9.2923;1.5523,-3.1007,10.3163;.5991,-4.1732,9.2608;2.3758,-4.1407,9.1197;-3.4616,-1.3949,5.8577;-2.3422,.0117,7.3812;-1.6372,.8494,7.4409;-6.9569,1.5475,6.4108;-6.2256,2.3188,6.1244;-7.9746,1.9748,6.3798;-6.9005,.7411,5.6619;-6.619,1.0134,7.8022;-6.7163,1.8257,8.5449;-7.3624,.2432,8.0873;-5.2152,.395,7.8963;-5.0742,-.3185,7.0601;-5.1304,-.2005,8.8183;-4.0949,1.4357,7.897;-4.0934,2.4089,7.1384;-3.5532,1.5088,8.8745;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723269537805</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005392983995 0.001000476411 0.038862752692 0.008514290187</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.015108025 -0.002849686 0.000072612 0.000144398 0.000314913 0.000345728 0.000653865 0.000720989 0.001045494 0.001770584 0.002530673 0.002926206 0.003413958 0.004096484 0.004927288 0.005569399 0.005828911 0.007127811 0.007912592 0.008498475 0.010109564 0.011099769 0.015781805 0.017124657 0.018063110 0.020889174 0.022963066 0.027358287 0.028060431 0.030248665 0.031753318 0.033463781 0.036712310 0.039526706 0.044319090 0.046427957 0.047453959 0.048123010 0.049735554 0.050179835 0.050699047 0.052040329 0.052634780 0.053395479 0.055581566 0.056686131 0.057817576 0.059179576 0.063666301 0.066017408 0.066316994 0.071979828 0.075779941 0.076283121 0.076644901 0.077310736 0.078615971 0.081610231 0.085863583 0.089253784 0.091995188 0.093571506 0.100173019 0.103117164 0.110437929 0.112825536 0.113343605 0.115802896 0.119170767 0.128101664 0.136245589 0.138743331 0.140251163 0.142492602 0.148045572 0.153546901 0.156445986 0.168102183 0.172535231 0.178763292 0.184172256 0.184568014 0.194005012 0.208227425 0.213212530 0.217973098 0.226573899 0.240846435 0.252448052 0.261658431 0.297122044 0.313340806 0.340637715 0.397625012 0.410521475 0.460001784 0.516833017 0.524679332 0.565352238 0.597333845 0.633362117 0.642992632 0.675012938 0.739456451 0.740345594 0.752651529 0.757113973 0.773174658 0.781103627 0.783792281 0.785169042 0.789363701 0.798992408 0.801584935 0.811058880 0.820117303 0.825637517 0.847937713 0.850394612 0.853303513 0.867899996 0.871426475 0.892584977 0.895559981 0.911363710 0.914668307 0.917975615 0.919601840 0.920242775 0.976522123 1.374922226 1.483673088</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">47</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78453541" y3="-1.34656245" z3="1.6456591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81073235" y3="-1.74584572" z3="1.74148601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15272766" y3="-2.14548921" z3="1.21529497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81975813" y3="-0.5154024" z3="0.9156304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26047223" y3="-0.87590848" z3="3.00050697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2183257" y3="-0.51625414" z3="2.88773591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23692793" y3="-1.72305485" z3="3.70621084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11266221" y3="0.22785235" z3="3.62710118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14349062" y3="-0.15006096" z3="3.74539681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1574187" y3="1.09360108" z3="2.93574505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61515334" y3="0.68893563" z3="4.99281213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17123353" y3="1.5904197" z3="5.32313774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55133653" y3="0.99085827" z3="4.93688457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80162335" y3="-0.35205056" z3="6.10467306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31666481" y3="-1.00843042" z3="8.48671658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26212868" y3="-1.57834577" z3="8.45403237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.27276228" y3="-0.51145772" z3="9.47979129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17193378" y3="-2.03481324" z3="8.39626446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.27550395" y3="-2.56888027" z3="7.4329476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.2969485" y3="-2.79153978" z3="9.19721627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22222811" y3="-1.4165112" z3="8.48473792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.34852302" y3="-0.93187927" z3="9.47492535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28848474" y3="-0.60823932" z3="7.73486245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37820477" y3="-2.39421487" z3="8.25179281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.33068088" y3="-1.83041351" z3="8.24332185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.2744756" y3="-2.83632881" z3="7.24260277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.47911527" y3="-3.5175887" z3="9.28355517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55225434" y3="-3.10707009" z3="10.30795529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.59385307" y3="-4.17580946" z3="9.25332977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.37013845" y3="-4.14763219" z3="9.10815374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45732973" y3="-1.39216618" z3="5.86328594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34280129" y3="0.01777105" z3="7.38638975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63863063" y3="0.85614557" z3="7.44597088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.94723046" y3="1.53034303" z3="6.39550576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.21653914" y3="2.30021451" z3="6.10443648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.97061205" y3="1.95434837" z3="6.34505666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.87475344" y3="0.70221558" z3="5.65818289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61603591" y3="1.01507064" z3="7.79594559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71791662" y3="1.8444927" z3="8.52526617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36146545" y3="0.24953148" z3="8.09228654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21597687" y3="0.39342639" z3="7.90261337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.06906888" y3="-0.32888455" z3="7.07534319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.14232792" y3="-0.18711586" z3="8.84681994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0954345" y3="1.43440233" z3="7.89850979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10062824" y3="2.40683593" z3="7.13572813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55283625" y3="1.51194166" z3="8.87606673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7845,-1.3466,1.6457;-3.8107,-1.7458,1.7415;-2.1527,-2.1455,1.2153;-2.8198,-.5154,.9156;-2.2605,-.8759,3.0005;-1.2183,-.5163,2.8877;-2.2369,-1.7231,3.7062;-3.1127,.2279,3.6271;-4.1435,-.1501,3.7454;-3.1574,1.0936,2.9357;-2.6152,.6889,4.9928;-3.1712,1.5904,5.3231;-1.5513,.9909,4.9369;-2.8016,-.3521,6.1047;-2.3167,-1.0084,8.4867;-3.2621,-1.5783,8.454;-2.2728,-.5115,9.4798;-1.1719,-2.0348,8.3963;-1.2755,-2.5689,7.4329;-1.2969,-2.7915,9.1972;.2222,-1.4165,8.4847;.3485,-.9319,9.4749;.2885,-.6082,7.7349;1.3782,-2.3942,8.2518;2.3307,-1.8304,8.2433;1.2745,-2.8363,7.2426;1.4791,-3.5176,9.2836;1.5523,-3.1071,10.308;.5939,-4.1758,9.2533;2.3701,-4.1476,9.1082;-3.4573,-1.3922,5.8633;-2.3428,.0178,7.3864;-1.6386,.8561,7.446;-6.9472,1.5303,6.3955;-6.2165,2.3002,6.1044;-7.9706,1.9543,6.3451;-6.8748,.7022,5.6582;-6.616,1.0151,7.7959;-6.7179,1.8445,8.5253;-7.3615,.2495,8.0923;-5.216,.3934,7.9026;-5.0691,-.3289,7.0753;-5.1423,-.1871,8.8468;-4.0954,1.4344,7.8985;-4.1006,2.4068,7.1357;-3.5528,1.5119,8.8761;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723248854960</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007705000353 0.001319416965 0.029751469730 0.008513545942</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.015101477 -0.003922563 0.000072896 0.000145069 0.000304029 0.000345600 0.000654061 0.000721094 0.001047276 0.001773451 0.002531587 0.002926190 0.003415843 0.004114468 0.004932207 0.005569198 0.005829063 0.007137823 0.008013636 0.008632866 0.010269034 0.011156610 0.015783681 0.017220161 0.018063226 0.020890201 0.022976800 0.027358543 0.028074273 0.030248251 0.031762365 0.033475547 0.036737798 0.039527111 0.044318525 0.046433277 0.047494008 0.048141643 0.049778517 0.050180705 0.050721636 0.052310649 0.052634653 0.053823998 0.055887419 0.056695265 0.057841782 0.059190555 0.063697927 0.066022214 0.066316848 0.072029569 0.076276433 0.076593777 0.076886790 0.077329840 0.079041225 0.081611707 0.085949884 0.089254521 0.092006475 0.093573921 0.100176618 0.103479392 0.110443089 0.112825580 0.113345192 0.115835909 0.119170987 0.128109844 0.136292288 0.139523348 0.140359272 0.142816395 0.148325677 0.153547105 0.156457170 0.168484318 0.172946049 0.178762921 0.184192524 0.184569498 0.194013409 0.208956468 0.213211889 0.217989546 0.226659568 0.241158125 0.255273423 0.261724101 0.297126604 0.313342045 0.340637705 0.397776063 0.410617721 0.460001786 0.516940042 0.524735933 0.565352811 0.597333909 0.633362102 0.643053338 0.675015883 0.739621167 0.740368605 0.752651679 0.757114079 0.773178202 0.781133652 0.784528995 0.785347275 0.789363916 0.799949966 0.801649311 0.811059448 0.820119920 0.825639135 0.848412177 0.850602751 0.853314844 0.867968044 0.875149194 0.892584899 0.895564091 0.911394685 0.914703862 0.917985744 0.920232751 0.922307634 0.976522737 1.375503484 1.483769468</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">48</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78790374" y3="-1.34365058" z3="1.65141662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81346228" y3="-1.74396958" z3="1.74932279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15607649" y3="-2.14215009" z3="1.22043616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82525372" y3="-0.51298662" z3="0.92095245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.261856" y3="-0.87165523" z3="3.00494735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2201774" y3="-0.51126685" z3="2.89002216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2362152" y3="-1.71841321" z3="3.71100173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11357802" y3="0.23190594" z3="3.63259647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1443442" y3="-0.14594044" z3="3.75194694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.15921495" y3="1.09763239" z3="2.94131739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61430624" y3="0.69310402" z3="4.99766157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.16902406" y3="1.59495719" z3="5.32924104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55022909" y3="0.99408347" z3="4.94048592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80136254" y3="-0.34637292" z3="6.11040324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.3165776" y3="-1.00030257" z3="8.49340193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2635171" y3="-1.56800513" z3="8.46579015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.26694387" y3="-0.50310149" z3="9.48592473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17516927" y3="-2.02962445" z3="8.39723781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.28453553" y3="-2.56296564" z3="7.4341557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29928488" y3="-2.78628226" z3="9.19830008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22128084" y3="-1.41584528" z3="8.48052295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.35277188" y3="-0.93158884" z3="9.47020396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28773828" y3="-0.60780002" z3="7.73038911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37307657" y3="-2.39767443" z3="8.24364404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32755547" y3="-1.83719103" z3="8.23218918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.26453288" y3="-2.83937444" z3="7.23474732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.47338587" y3="-3.52157114" z3="9.27494819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55072353" y3="-3.11145874" z3="10.29923871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58597606" y3="-4.17712067" z3="9.24715546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.36200515" y3="-4.15434909" z3="9.0968253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45458003" y3="-1.38805848" z3="5.87009049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34611497" y3="0.02688393" z3="7.39381944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63972545" y3="0.86354754" z3="7.45144407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.9336085" y3="1.50413792" z3="6.37678421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.20167189" y3="2.27046304" z3="6.0750384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.95289621" y3="1.92962372" z3="6.31922352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.87080145" y3="0.67938505" z3="5.6533228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.6137222" y3="1.01320874" z3="7.7901878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72203979" y3="1.85335907" z3="8.505454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36236476" y3="0.25606547" z3="8.08873701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21266718" y3="0.39403062" z3="7.91863469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.06452271" y3="-0.33922117" z3="7.100374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.14099582" y3="-0.18126595" z3="8.85250049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08990539" y3="1.43405832" z3="7.90405556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09731292" y3="2.40457598" z3="7.13959477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55105387" y3="1.51864018" z3="8.88220055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7879,-1.3437,1.6514;-3.8135,-1.744,1.7493;-2.1561,-2.1422,1.2204;-2.8253,-.513,.921;-2.2619,-.8717,3.0049;-1.2202,-.5113,2.89;-2.2362,-1.7184,3.711;-3.1136,.2319,3.6326;-4.1443,-.1459,3.7519;-3.1592,1.0976,2.9413;-2.6143,.6931,4.9977;-3.169,1.595,5.3292;-1.5502,.9941,4.9405;-2.8014,-.3464,6.1104;-2.3166,-1.0003,8.4934;-3.2635,-1.568,8.4658;-2.2669,-.5031,9.4859;-1.1752,-2.0296,8.3972;-1.2845,-2.563,7.4342;-1.2993,-2.7863,9.1983;.2213,-1.4158,8.4805;.3528,-.9316,9.4702;.2877,-.6078,7.7304;1.3731,-2.3977,8.2436;2.3276,-1.8372,8.2322;1.2645,-2.8394,7.2347;1.4734,-3.5216,9.2749;1.5507,-3.1115,10.2992;.586,-4.1771,9.2472;2.362,-4.1543,9.0968;-3.4546,-1.3881,5.8701;-2.3461,.0269,7.3938;-1.6397,.8635,7.4514;-6.9336,1.5041,6.3768;-6.2017,2.2705,6.075;-7.9529,1.9296,6.3192;-6.8708,.6794,5.6533;-6.6137,1.0132,7.7902;-6.722,1.8534,8.5055;-7.3624,.2561,8.0887;-5.2127,.394,7.9186;-5.0645,-.3392,7.1004;-5.141,-.1813,8.8525;-4.0899,1.4341,7.9041;-4.0973,2.4046,7.1396;-3.5511,1.5186,8.8822;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723243098102</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009646467496 0.001494028086 0.042258577635 0.008511778267</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.015972611 -0.004582978 0.000071578 0.000146453 0.000303150 0.000346928 0.000655197 0.000726972 0.001047438 0.001790461 0.002538665 0.002926949 0.003435530 0.004124792 0.004932052 0.005574146 0.005829254 0.007173842 0.008003742 0.008692300 0.010264942 0.011154111 0.015805146 0.017321592 0.018063382 0.020892005 0.023011382 0.027358418 0.028098698 0.030248217 0.031770064 0.033485969 0.036772155 0.039527305 0.044321589 0.046435846 0.047509823 0.048168919 0.049819582 0.050183179 0.050746622 0.052462677 0.052634885 0.054202391 0.056248147 0.057055816 0.057924197 0.059212802 0.064254899 0.066177664 0.066362603 0.072025385 0.076279537 0.076594300 0.077279560 0.077372633 0.079768372 0.081615750 0.086200818 0.089252438 0.092017554 0.093573874 0.100179626 0.104541507 0.110454472 0.112825701 0.113347224 0.115862159 0.119171058 0.128116035 0.136322016 0.140002416 0.140827901 0.143790795 0.149103786 0.153548275 0.156456934 0.168666468 0.173179743 0.178762532 0.184448346 0.184886701 0.194020048 0.210044753 0.213213298 0.218036163 0.226679228 0.241317478 0.257378410 0.261801505 0.297128639 0.313342239 0.340638340 0.397789614 0.410620928 0.460001962 0.516937195 0.524733860 0.565353567 0.597334018 0.633362354 0.643100558 0.675016896 0.739996243 0.740542934 0.752651702 0.757114119 0.773182057 0.781165497 0.784946027 0.786553640 0.789364282 0.800915302 0.801821475 0.811059817 0.820125516 0.825640447 0.849360920 0.851718544 0.853361840 0.867991857 0.881017324 0.892585237 0.895569938 0.911515261 0.914816733 0.917985834 0.920234970 0.925359562 0.976524501 1.375763684 1.483775881</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">49</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.7909194" y3="-1.34052259" z3="1.6575263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81625418" y3="-1.74119677" z3="1.75695453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15924177" y3="-2.13912752" z3="1.22642436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82944278" y3="-0.51043198" z3="0.92643466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26347029" y3="-0.8672051" z3="3.0100686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22187643" y3="-0.50690199" z3="2.89367414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23717777" y3="-1.71341293" z3="3.71678044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1147472" y3="0.23686105" z3="3.63730188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14531003" y3="-0.14113081" z3="3.75797417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16072989" y3="1.1019599" z3="2.94525479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61543861" y3="0.69922622" z3="5.00183591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17029901" y3="1.60147861" z3="5.33083796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55137933" y3="0.99984112" z3="4.94441791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80201716" y3="-0.34015606" z3="6.11540917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31262791" y3="-0.99455464" z3="8.49714188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26203933" y3="-1.55847485" z3="8.47299769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.25863744" y3="-0.49552705" z3="9.48857869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.17562921" y3="-2.02855597" z3="8.40065208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.28969704" y3="-2.56341231" z3="7.43902816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3000237" y3="-2.78300279" z3="9.20381626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22299602" y3="-1.41883951" z3="8.47799261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.35971768" y3="-0.93401089" z3="9.46673229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28880529" y3="-0.61173056" z3="7.7267034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.37083243" y3="-2.40435411" z3="8.23742096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32716038" y3="-1.84706016" z3="8.22274563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.25746405" y3="-2.84573637" z3="7.22889437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4704549" y3="-3.52855037" z3="9.26848962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55184309" y3="-3.11855003" z3="10.29249978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.58077646" y3="-4.18113811" z3="9.24316664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.35650953" y3="-4.16427571" z3="9.08799004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46098877" y3="-1.37914728" z3="5.8766313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.33844112" y3="0.02939259" z3="7.39485442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.6340524" y3="0.86774833" z3="7.45287985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.93163566" y3="1.48604144" z3="6.36284334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.19823759" y3="2.24721639" z3="6.05959977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.95347096" y3="1.90525874" z3="6.29084417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.84936348" y3="0.63712647" z3="5.64976283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.61407057" y3="1.01130945" z3="7.77830466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72462919" y3="1.85916986" z3="8.48286079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3611381" y3="0.25112583" z3="8.08625056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21204902" y3="0.40065845" z3="7.91898639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.0534139" y3="-0.33608564" z3="7.10979323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.14629458" y3="-0.15872422" z3="8.87516027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09527115" y3="1.44578058" z3="7.91056145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1036188" y3="2.41633141" z3="7.14803564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54689487" y3="1.5257461" z3="8.88477465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7909,-1.3405,1.6575;-3.8163,-1.7412,1.757;-2.1592,-2.1391,1.2264;-2.8294,-.5104,.9264;-2.2635,-.8672,3.0101;-1.2219,-.5069,2.8937;-2.2372,-1.7134,3.7168;-3.1147,.2369,3.6373;-4.1453,-.1411,3.758;-3.1607,1.102,2.9453;-2.6154,.6992,5.0018;-3.1703,1.6015,5.3308;-1.5514,.9998,4.9444;-2.802,-.3402,6.1154;-2.3126,-.9946,8.4971;-3.262,-1.5585,8.473;-2.2586,-.4955,9.4886;-1.1756,-2.0286,8.4007;-1.2897,-2.5634,7.439;-1.3,-2.783,9.2038;.223,-1.4188,8.478;.3597,-.934,9.4667;.2888,-.6117,7.7267;1.3708,-2.4044,8.2374;2.3272,-1.8471,8.2227;1.2575,-2.8457,7.2289;1.4705,-3.5286,9.2685;1.5518,-3.1186,10.2925;.5808,-4.1811,9.2432;2.3565,-4.1643,9.088;-3.461,-1.3791,5.8766;-2.3384,.0294,7.3949;-1.6341,.8677,7.4529;-6.9316,1.486,6.3628;-6.1982,2.2472,6.0596;-7.9535,1.9053,6.2908;-6.8494,.6371,5.6498;-6.6141,1.0113,7.7783;-6.7246,1.8592,8.4829;-7.3611,.2511,8.0863;-5.212,.4007,7.919;-5.0534,-.3361,7.1098;-5.1463,-.1587,8.8752;-4.0953,1.4458,7.9106;-4.1036,2.4163,7.148;-3.5469,1.5257,8.8848;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723261104109</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009808536340 0.001419150437 0.028929457575 0.008513499562</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.018140675 -0.002759342 0.000071775 0.000145825 0.000299674 0.000346831 0.000659572 0.000754949 0.001050162 0.001822858 0.002548855 0.002928623 0.003463948 0.004171405 0.004932434 0.005580724 0.005829422 0.007226714 0.008034497 0.008732177 0.010269725 0.011172345 0.015822172 0.017339141 0.018064380 0.020922351 0.023051920 0.027359158 0.028183807 0.030252590 0.031770631 0.033485086 0.036770444 0.039527282 0.044334284 0.046435791 0.047508894 0.048179549 0.049833758 0.050183838 0.050754806 0.052500732 0.052634234 0.054261266 0.056278431 0.057145577 0.057929871 0.059219616 0.064665294 0.066256112 0.066593910 0.072037034 0.076281728 0.076613924 0.077338228 0.077403840 0.080059694 0.081617461 0.086591052 0.089285792 0.092015673 0.093575123 0.100179349 0.105866173 0.110472816 0.112825856 0.113348450 0.115865533 0.119171096 0.128122450 0.136333148 0.140067102 0.141145233 0.144714670 0.150255443 0.153549060 0.156459670 0.168853342 0.173441272 0.178761982 0.184485175 0.185745264 0.194026582 0.211242650 0.213212598 0.218122254 0.226679746 0.241419417 0.258760132 0.261883849 0.297130024 0.313356418 0.340639993 0.397853842 0.410647257 0.460002155 0.517041998 0.524833491 0.565354311 0.597335263 0.633368346 0.643572249 0.675016831 0.740119182 0.740950831 0.752651858 0.757114182 0.773181927 0.781168037 0.784974279 0.787030491 0.789365834 0.801228083 0.802160373 0.811059950 0.820127257 0.825640592 0.849622395 0.852862981 0.853595470 0.868000087 0.888198425 0.892590673 0.895583663 0.911528266 0.914823902 0.917986580 0.920235333 0.929602809 0.976526006 1.375761494 1.483784420</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">50</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79133937" y3="-1.33700909" z3="1.66218985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81635697" y3="-1.73821424" z3="1.76208708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15937483" y3="-2.13530502" z3="1.23092985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83071213" y3="-0.50698573" z3="0.93110149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26365232" y3="-0.86329101" z3="3.01446813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22244744" y3="-0.50220736" z3="2.89769345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23624731" y3="-1.70943425" z3="3.72127791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11536264" y3="0.24031865" z3="3.64211662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14577771" y3="-0.13789301" z3="3.76292642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16202373" y3="1.10555035" z3="2.95028172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61480293" y3="0.70251949" z3="5.00631996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.16850563" y3="1.60534465" z3="5.33750853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55038304" y3="1.00225402" z3="4.94821471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8010986" y3="-0.33581477" z3="6.1200824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.3142634" y3="-0.98691301" z3="8.50358089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26494146" y3="-1.54874988" z3="8.48465294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.2540644" y3="-0.48795569" z3="9.49466263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18009617" y3="-2.02348621" z3="8.40043491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.30031408" y3="-2.55680756" z3="7.43860387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.302775" y3="-2.77849466" z3="9.20326195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22044552" y3="-1.41790616" z3="8.47251441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.36212517" y3="-0.93316146" z3="9.46056284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28596711" y3="-0.61123227" z3="7.72084239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.36444166" y3="-2.40686643" z3="8.22849029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.32222219" y3="-1.85234047" z3="8.21015033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.24628791" y3="-2.84856278" z3="7.22069922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.46455698" y3="-3.53055755" z3="9.25998812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55038122" y3="-3.12017204" z3="10.28349258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.5732561" y3="-4.18095187" z3="9.23803171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.34838117" y3="-4.16852903" z3="9.0770108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45530935" y3="-1.37741079" z3="5.88199342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34388262" y3="0.03811169" z3="7.40197611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63844512" y3="0.87550593" z3="7.45839072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.91619545" y3="1.46235509" z3="6.34725502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.18097416" y3="2.21995675" z3="6.03067032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.93639217" y3="1.88673619" z3="6.26383109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.84225683" y3="0.61080894" z3="5.64956643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60998418" y3="1.01347925" z3="7.77773971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72139557" y3="1.87025077" z3="8.46701326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36032314" y3="0.26309541" z3="8.0937529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21148139" y3="0.39909201" z3="7.93435637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.04707717" y3="-0.35727992" z3="7.13423773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.1520375" y3="-0.15267423" z3="8.88831122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09055239" y3="1.44167291" z3="7.91244379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10493126" y3="2.41029167" z3="7.14429351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54625637" y3="1.52931893" z3="8.88787865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7913,-1.337,1.6622;-3.8164,-1.7382,1.7621;-2.1594,-2.1353,1.2309;-2.8307,-.507,.9311;-2.2637,-.8633,3.0145;-1.2224,-.5022,2.8977;-2.2362,-1.7094,3.7213;-3.1154,.2403,3.6421;-4.1458,-.1379,3.7629;-3.162,1.1056,2.9503;-2.6148,.7025,5.0063;-3.1685,1.6053,5.3375;-1.5504,1.0023,4.9482;-2.8011,-.3358,6.1201;-2.3143,-.9869,8.5036;-3.2649,-1.5487,8.4847;-2.2541,-.488,9.4947;-1.1801,-2.0235,8.4004;-1.3003,-2.5568,7.4386;-1.3028,-2.7785,9.2033;.2204,-1.4179,8.4725;.3621,-.9332,9.4606;.286,-.6112,7.7208;1.3644,-2.4069,8.2285;2.3222,-1.8523,8.2102;1.2463,-2.8486,7.2207;1.4646,-3.5306,9.26;1.5504,-3.1202,10.2835;.5733,-4.181,9.238;2.3484,-4.1685,9.077;-3.4553,-1.3774,5.882;-2.3439,.0381,7.402;-1.6384,.8755,7.4584;-6.9162,1.4624,6.3473;-6.181,2.22,6.0307;-7.9364,1.8867,6.2638;-6.8423,.6108,5.6496;-6.61,1.0135,7.7777;-6.7214,1.8703,8.467;-7.3603,.2631,8.0938;-5.2115,.3991,7.9344;-5.0471,-.3573,7.1342;-5.152,-.1527,8.8883;-4.0906,1.4417,7.9124;-4.1049,2.4103,7.1443;-3.5463,1.5293,8.8879;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723282411824</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006205142460 0.001089881087 0.032207212454 0.008511524852</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.018494562 -0.002868023 0.000070524 0.000146001 0.000332296 0.000348369 0.000659343 0.000764272 0.001064891 0.001878924 0.002569045 0.002932796 0.003482468 0.004235077 0.004967599 0.005582884 0.005829962 0.007248404 0.008088846 0.008734118 0.010299924 0.011221968 0.015837608 0.017339564 0.018065925 0.020966973 0.023094837 0.027360389 0.028457262 0.030316688 0.031771849 0.033489490 0.036807836 0.039527819 0.044333495 0.046435912 0.047508584 0.048180621 0.049841152 0.050183962 0.050754043 0.052506874 0.052636051 0.054254429 0.056276430 0.057426551 0.058315546 0.059229324 0.064757709 0.066257877 0.066620502 0.072037392 0.076284762 0.076762925 0.077394988 0.077491836 0.080057834 0.081617391 0.086904013 0.089515665 0.092074970 0.093584199 0.100182789 0.106631603 0.110497043 0.112826679 0.113350269 0.115899696 0.119171175 0.128131313 0.136336763 0.140071943 0.141221262 0.144892925 0.150590411 0.153549760 0.156516252 0.169160788 0.173957855 0.178764467 0.184490368 0.186388296 0.194032134 0.211404386 0.213211638 0.218131902 0.226686856 0.241418497 0.258792891 0.261887166 0.297132714 0.313379086 0.340641346 0.398118797 0.410782166 0.460002215 0.517257852 0.525066306 0.565354583 0.597337563 0.633390899 0.646334920 0.675018591 0.740132254 0.741182579 0.752652107 0.757115323 0.773184318 0.781176180 0.784992052 0.787666866 0.789365872 0.801225683 0.802175410 0.811067542 0.820127462 0.825641024 0.849665408 0.853076077 0.853921555 0.868001567 0.891180718 0.892606153 0.895592553 0.911527491 0.914824656 0.917986556 0.920235550 0.931448355 0.976537811 1.375868767 1.483793256</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">51</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79218376" y3="-1.33461441" z3="1.6685264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81728378" y3="-1.73575962" z3="1.76791669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.1599379" y3="-2.13317423" z3="1.23832782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83085259" y3="-0.50506268" z3="0.93687138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26538138" y3="-0.86003444" z3="3.0207198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22412903" y3="-0.49891325" z3="2.90422131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23821289" y3="-1.70583904" z3="3.72791481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11728875" y3="0.24382708" z3="3.64746566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1476544" y3="-0.13448736" z3="3.76882303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16426762" y3="1.10840065" z3="2.9548932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61655206" y3="0.70737347" z3="5.0110171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17065212" y3="1.60966465" z3="5.34209778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55258851" y3="1.00793503" z3="4.95222959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80236027" y3="-0.32951127" z3="6.12593438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31313505" y3="-0.97835642" z3="8.50961559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2653247" y3="-1.5377017" z3="8.49632846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.24656738" y3="-0.47882545" z3="9.4998778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18320997" y3="-2.01869573" z3="8.40158337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.30971915" y3="-2.5526322" z3="7.44100009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30498482" y3="-2.77258231" z3="9.20561174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21981595" y3="-1.41791528" z3="8.46657393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.3675637" y3="-0.93230485" z3="9.45334976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28498108" y3="-0.61248265" z3="7.71345842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.35903018" y3="-2.41167689" z3="8.21885803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31898298" y3="-1.86084886" z3="8.19536449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.23460422" y3="-2.85454857" z3="7.21225711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45914831" y3="-3.53423338" z3="9.25168847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5505328" y3="-3.1224698" z3="10.2742012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.5652496" y3="-4.18142803" z3="9.23435905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.33992865" y3="-4.1758679" z3="9.06609681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45735744" y3="-1.37120851" z3="5.89009364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34589691" y3="0.04707704" z3="7.40809648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63721356" y3="0.88214234" z3="7.46216118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.90528505" y3="1.44039505" z3="6.33188481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.165197" y3="2.18978646" z3="6.01654746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.92204762" y3="1.86210508" z3="6.24166176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.82498744" y3="0.57860173" z3="5.64447348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60632405" y3="1.00798491" z3="7.76612806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72894282" y3="1.88331177" z3="8.44204281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35956033" y3="0.26243199" z3="8.08578803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2060869" y3="0.39753697" z3="7.94093741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.04653264" y3="-0.34640421" z3="7.14798943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.15292909" y3="-0.14436307" z3="8.90348869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08564163" y3="1.44089364" z3="7.91942996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10311586" y3="2.41140721" z3="7.154111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54440184" y3="1.53152325" z3="8.89587077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7922,-1.3346,1.6685;-3.8173,-1.7358,1.7679;-2.1599,-2.1332,1.2383;-2.8309,-.5051,.9369;-2.2654,-.86,3.0207;-1.2241,-.4989,2.9042;-2.2382,-1.7058,3.7279;-3.1173,.2438,3.6475;-4.1477,-.1345,3.7688;-3.1643,1.1084,2.9549;-2.6166,.7074,5.011;-3.1707,1.6097,5.3421;-1.5526,1.0079,4.9522;-2.8024,-.3295,6.1259;-2.3131,-.9784,8.5096;-3.2653,-1.5377,8.4963;-2.2466,-.4788,9.4999;-1.1832,-2.0187,8.4016;-1.3097,-2.5526,7.441;-1.305,-2.7726,9.2056;.2198,-1.4179,8.4666;.3676,-.9323,9.4533;.285,-.6125,7.7135;1.359,-2.4117,8.2189;2.319,-1.8608,8.1954;1.2346,-2.8545,7.2123;1.4591,-3.5342,9.2517;1.5505,-3.1225,10.2742;.5652,-4.1814,9.2344;2.3399,-4.1759,9.0661;-3.4574,-1.3712,5.8901;-2.3459,.0471,7.4081;-1.6372,.8821,7.4622;-6.9053,1.4404,6.3319;-6.1652,2.1898,6.0165;-7.922,1.8621,6.2417;-6.825,.5786,5.6445;-6.6063,1.008,7.7661;-6.7289,1.8833,8.442;-7.3596,.2624,8.0858;-5.2061,.3975,7.9409;-5.0465,-.3464,7.148;-5.1529,-.1444,8.9035;-4.0856,1.4409,7.9194;-4.1031,2.4114,7.1541;-3.5444,1.5315,8.8959;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723235405596</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010367946623 0.001677333221 0.036519455380 0.008512773433</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.018690847 -0.007023407 0.000069918 0.000145773 0.000330870 0.000349921 0.000659100 0.000764472 0.001065692 0.001882902 0.002569217 0.002933007 0.003482291 0.004238937 0.004985863 0.005582911 0.005831110 0.007248158 0.008098940 0.008742747 0.010328008 0.011235395 0.015839345 0.017340619 0.018066937 0.020974036 0.023101162 0.027360286 0.028731274 0.030473195 0.031777764 0.033504114 0.036942382 0.039528364 0.044435776 0.046436771 0.047516339 0.048185927 0.049839528 0.050189461 0.050767021 0.052506146 0.052638736 0.054266356 0.056277092 0.057646958 0.059180280 0.062327920 0.064735118 0.066270375 0.066804358 0.072078336 0.076288045 0.076999026 0.077400658 0.079055616 0.080150966 0.081625006 0.087014552 0.089984732 0.092405062 0.093634129 0.100206801 0.107123462 0.110543076 0.112828388 0.113355275 0.116156452 0.119171252 0.128156603 0.136341288 0.140073499 0.141210166 0.144879935 0.150565129 0.153555439 0.156677747 0.169673432 0.175563246 0.178768892 0.184493861 0.186836622 0.194042239 0.211391419 0.213218399 0.218132012 0.226725512 0.241415580 0.258781014 0.261888790 0.297136168 0.313409395 0.340641535 0.398707632 0.411126605 0.460002174 0.517661949 0.525462717 0.565354618 0.597339011 0.633408383 0.652818784 0.675032797 0.740135191 0.741413301 0.752652029 0.757117129 0.773196336 0.781213686 0.785023689 0.789365439 0.792135694 0.801517433 0.802646239 0.811074477 0.820130892 0.825641469 0.849676897 0.853124954 0.854140455 0.868002303 0.892397987 0.892747376 0.895599243 0.911526644 0.914832126 0.917986708 0.920235504 0.933182029 0.976538102 1.375927917 1.483811208</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">52</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.7929851" y3="-1.33151089" z3="1.67463795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81837807" y3="-1.73214515" z3="1.773463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16075968" y3="-2.13057687" z3="1.24513525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83081811" y3="-0.50227978" z3="0.94257078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26681373" y3="-0.85657091" z3="3.02713444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22534101" y3="-0.49584972" z3="2.91110081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24025198" y3="-1.70216611" z3="3.73457932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11899441" y3="0.2477805" z3="3.65286288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14921653" y3="-0.13070544" z3="3.77463106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16608527" y3="1.11168847" z3="2.95944354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61894404" y3="0.71279246" z3="5.01621329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17398776" y3="1.61504696" z3="5.34575368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55511981" y3="1.01411407" z3="4.95747692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80378688" y3="-0.3240362" z3="6.13159919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31051543" y3="-0.97262587" z3="8.51467529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26470284" y3="-1.52865109" z3="8.5065342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.23840664" y3="-0.47131388" z3="9.50365339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18437889" y3="-2.01656101" z3="8.40422259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.31690812" y3="-2.55177641" z3="7.4451775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30500453" y3="-2.76828745" z3="9.21040569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.22073674" y3="-1.41993587" z3="8.46159454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.37469186" y3="-0.93313576" z3="9.4468635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2849198" y3="-0.61599557" z3="7.70674124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.35555471" y3="-2.41774384" z3="8.21032432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31720891" y3="-1.87028522" z3="8.18204827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.22537764" y3="-2.86140153" z3="7.20484992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45619357" y3="-3.5392977" z3="9.24419746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55302214" y3="-3.12654794" z3="10.26578691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.56016127" y3="-4.18345112" z3="9.2312349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.33402279" y3="-4.18408133" z3="9.05602751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46094098" y3="-1.36443021" z3="5.89656235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.34229035" y3="0.04995634" z3="7.41089504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.63597324" y3="0.8869435" z3="7.4649349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.89774311" y3="1.42148099" z3="6.31729379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.1578503" y3="2.17164902" z3="5.99386282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.91964823" y3="1.84279629" z3="6.2051423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.80809462" y3="0.54652817" z3="5.64318829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.6085743" y3="1.01060987" z3="7.76000263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72791923" y3="1.8816426" z3="8.42520814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35963867" y3="0.26283642" z3="8.08484439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21043432" y3="0.40898491" z3="7.9486873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.02742447" y3="-0.37142601" z3="7.16430995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.1605944" y3="-0.12404697" z3="8.91245378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09045705" y3="1.45239919" z3="7.92684667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10632345" y3="2.42227645" z3="7.16244191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54055272" y3="1.53776586" z3="8.90027466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.793,-1.3315,1.6746;-3.8184,-1.7321,1.7735;-2.1608,-2.1306,1.2451;-2.8308,-.5023,.9426;-2.2668,-.8566,3.0271;-1.2253,-.4958,2.9111;-2.2403,-1.7022,3.7346;-3.119,.2478,3.6529;-4.1492,-.1307,3.7746;-3.1661,1.1117,2.9594;-2.6189,.7128,5.0162;-3.174,1.615,5.3458;-1.5551,1.0141,4.9575;-2.8038,-.324,6.1316;-2.3105,-.9726,8.5147;-3.2647,-1.5287,8.5065;-2.2384,-.4713,9.5037;-1.1844,-2.0166,8.4042;-1.3169,-2.5518,7.4452;-1.305,-2.7683,9.2104;.2207,-1.4199,8.4616;.3747,-.9331,9.4469;.2849,-.616,7.7067;1.3556,-2.4177,8.2103;2.3172,-1.8703,8.182;1.2254,-2.8614,7.2048;1.4562,-3.5393,9.2442;1.553,-3.1265,10.2658;.5602,-4.1835,9.2312;2.334,-4.1841,9.056;-3.4609,-1.3644,5.8966;-2.3423,.05,7.4109;-1.636,.8869,7.4649;-6.8977,1.4215,6.3173;-6.1579,2.1716,5.9939;-7.9196,1.8428,6.2051;-6.8081,.5465,5.6432;-6.6086,1.0106,7.76;-6.7279,1.8816,8.4252;-7.3596,.2628,8.0848;-5.2104,.409,7.9487;-5.0274,-.3714,7.1643;-5.1606,-.124,8.9125;-4.0905,1.4524,7.9268;-4.1063,2.4223,7.1624;-3.5406,1.5378,8.9003;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723171492541</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013573789402 0.002245661387 0.025571518243 0.008513294416</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.021465122 -0.007320807 0.000069933 0.000145637 0.000332990 0.000350106 0.000660323 0.000766141 0.001065721 0.001885837 0.002571302 0.002933300 0.003486894 0.004271126 0.004990740 0.005585876 0.005831105 0.007281033 0.008119240 0.008770091 0.010328207 0.011243038 0.015838735 0.017338948 0.018067082 0.020981497 0.023103145 0.027360237 0.028742269 0.030508482 0.031781137 0.033507804 0.036995463 0.039528276 0.044465427 0.046436712 0.047523766 0.048226795 0.049849006 0.050191212 0.050772584 0.052506561 0.052637741 0.054264055 0.056291284 0.057670915 0.059184258 0.064061255 0.064829745 0.066283664 0.067582056 0.072160927 0.076289248 0.077053836 0.077400535 0.079936986 0.081599311 0.084537606 0.087029302 0.090525091 0.093274208 0.094282016 0.100283745 0.107511201 0.110627479 0.112831498 0.113368609 0.117854790 0.119171729 0.128208770 0.136349166 0.140086788 0.141242443 0.144961578 0.150696919 0.153565938 0.156960169 0.170168397 0.178693479 0.179882570 0.184502383 0.187855206 0.194078225 0.211533322 0.213229809 0.218185657 0.227026873 0.241413789 0.258771141 0.261893458 0.297137016 0.313421469 0.340641601 0.399170681 0.411389400 0.460002317 0.518297686 0.526157385 0.565354761 0.597338940 0.633413755 0.663372691 0.675069508 0.740145672 0.741854349 0.752652060 0.757120408 0.773202967 0.781232408 0.785040044 0.789365594 0.797908070 0.801711210 0.809971436 0.811153097 0.820143888 0.825641477 0.849688461 0.853164708 0.854542370 0.868004186 0.892568110 0.893750014 0.895611560 0.911976968 0.915990155 0.918024271 0.920235751 0.936108731 0.976547998 1.375993675 1.483987387</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">53</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79298494" y3="-1.32888405" z3="1.6797578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81857013" y3="-1.72920056" z3="1.77776024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16064551" y3="-2.12816057" z3="1.25089047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82997317" y3="-0.49972262" z3="0.94761802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26778851" y3="-0.85402226" z3="3.03260196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22635995" y3="-0.49298666" z3="2.91731817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24125448" y3="-1.69967571" z3="3.7400178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12037749" y3="0.25015866" z3="3.65824625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15079143" y3="-0.12809674" z3="3.77942119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1674724" y3="1.114237" z3="2.96507563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.61964177" y3="0.71498503" z3="5.02133764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17385348" y3="1.61731924" z3="5.35382524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55568586" y3="1.01609328" z3="4.96243534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80333416" y3="-0.32050653" z3="6.13682423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31327876" y3="-0.9635488" z3="8.52244465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26822723" y3="-1.51853687" z3="8.52080189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.23409205" y3="-0.46288907" z3="9.51112349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.18961636" y3="-2.0095384" z3="8.40330387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.32907746" y3="-2.54299702" z3="7.44418189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30744952" y3="-2.76226515" z3="9.20890497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2175658" y3="-1.41729831" z3="8.45450066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.37695954" y3="-0.92993953" z3="9.43856155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28175825" y3="-0.61432819" z3="7.69868763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.34818058" y3="-2.41923008" z3="8.20031108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.31134615" y3="-1.87474527" z3="8.16718444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.21259172" y3="-2.86429939" z3="7.19619419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.45009418" y3="-3.53931481" z3="9.23568871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55238932" y3="-3.12530385" z3="10.25624774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.55251333" y3="-4.1813757" z3="9.22759976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.3255013" y3="-4.18654422" z3="9.0448133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45227145" y3="-1.36550417" z3="5.90314212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35250122" y3="0.06196519" z3="7.42060608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64244965" y3="0.89586941" z3="7.47156788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.88041738" y3="1.40339223" z3="6.30297603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.13673776" y3="2.1460775" z3="5.97522138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.89547511" y3="1.82546015" z3="6.18858856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.7959327" y3="0.52516017" z3="5.63960537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59897741" y3="1.00780782" z3="7.75276256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72101536" y3="1.89189358" z3="8.40563034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35797306" y3="0.27242186" z3="8.08597939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20430471" y3="0.39503693" z3="7.95414083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.0381482" y3="-0.36590475" z3="7.1779442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.16700161" y3="-0.12637862" z3="8.93487918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08056765" y3="1.43829593" z3="7.92625524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10425542" y3="2.41033757" z3="7.1592805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54436566" y3="1.53514257" z3="8.90562877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.793,-1.3289,1.6798;-3.8186,-1.7292,1.7778;-2.1606,-2.1282,1.2509;-2.83,-.4997,.9476;-2.2678,-.854,3.0326;-1.2264,-.493,2.9173;-2.2413,-1.6997,3.74;-3.1204,.2502,3.6582;-4.1508,-.1281,3.7794;-3.1675,1.1142,2.9651;-2.6196,.715,5.0213;-3.1739,1.6173,5.3538;-1.5557,1.0161,4.9624;-2.8033,-.3205,6.1368;-2.3133,-.9635,8.5224;-3.2682,-1.5185,8.5208;-2.2341,-.4629,9.5111;-1.1896,-2.0095,8.4033;-1.3291,-2.543,7.4442;-1.3074,-2.7623,9.2089;.2176,-1.4173,8.4545;.377,-.9299,9.4386;.2818,-.6143,7.6987;1.3482,-2.4192,8.2003;2.3113,-1.8747,8.1672;1.2126,-2.8643,7.1962;1.4501,-3.5393,9.2357;1.5524,-3.1253,10.2562;.5525,-4.1814,9.2276;2.3255,-4.1865,9.0448;-3.4523,-1.3655,5.9031;-2.3525,.062,7.4206;-1.6424,.8959,7.4716;-6.8804,1.4034,6.303;-6.1367,2.1461,5.9752;-7.8955,1.8255,6.1886;-6.7959,.5252,5.6396;-6.599,1.0078,7.7528;-6.721,1.8919,8.4056;-7.358,.2724,8.086;-5.2043,.395,7.9541;-5.0381,-.3659,7.1779;-5.167,-.1264,8.9349;-4.0806,1.4383,7.9263;-4.1043,2.4103,7.1593;-3.5444,1.5351,8.9056;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723251463899</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011739638497 0.001720194744 0.030536594183 0.008512567096</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.024474086 -0.004571356 0.000069988 0.000145965 0.000333289 0.000351251 0.000660156 0.000773190 0.001065696 0.001886007 0.002570958 0.002933273 0.003486281 0.004277960 0.005006958 0.005586660 0.005831342 0.007308934 0.008129744 0.008823884 0.010338930 0.011265884 0.015838818 0.017341017 0.018074425 0.021019429 0.023110574 0.027361216 0.028748129 0.030506995 0.031782460 0.033511327 0.036993155 0.039530195 0.044469564 0.046443978 0.047523726 0.048306864 0.049901434 0.050191159 0.050771921 0.052523601 0.052637880 0.054404484 0.056484001 0.057668515 0.059184171 0.064011030 0.064818253 0.066282988 0.067486345 0.072152070 0.076289371 0.077058742 0.077400913 0.079958983 0.081605134 0.086987024 0.087344136 0.090652716 0.093408209 0.095310604 0.100346781 0.107564992 0.110657025 0.112832410 0.113373829 0.119170698 0.120706260 0.128246524 0.136353946 0.140088669 0.141236866 0.144957671 0.150670703 0.153567219 0.157030232 0.170304550 0.178749408 0.182022054 0.184515003 0.190954971 0.194271755 0.211504276 0.213248967 0.218221943 0.227896150 0.241565732 0.259021459 0.261970401 0.297137135 0.313420925 0.340641903 0.399178215 0.411379081 0.460007945 0.518703028 0.526611993 0.565355237 0.597339331 0.633413976 0.665809258 0.675101823 0.740196936 0.743923737 0.752653464 0.757122972 0.773204797 0.781243975 0.785041839 0.789365656 0.798446385 0.801714854 0.811060456 0.813048408 0.820144627 0.825643518 0.849719302 0.853200628 0.855214933 0.868008866 0.892570244 0.893820955 0.895621197 0.912599723 0.917903756 0.920226138 0.921433901 0.943063057 0.976586352 1.376281940 1.484088326</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">54</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79296741" y3="-1.32599565" z3="1.68547596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81869925" y3="-1.72607795" z3="1.78254698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16034092" y3="-2.12543826" z3="1.25742883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82904869" y3="-0.49698179" z3="0.95312455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26898534" y3="-0.85098166" z3="3.03872642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22758696" y3="-0.48972042" z3="2.92425266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24275218" y3="-1.69661952" z3="3.74611423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12223618" y3="0.25292477" z3="3.6637162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15252602" y3="-0.12562946" z3="3.78495248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16966899" y3="1.11662582" z3="2.97017316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62209083" y3="0.71872554" z3="5.02666009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17806425" y3="1.61975088" z3="5.35932219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.55884732" y3="1.02194449" z3="4.96768045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8052229" y3="-0.3159877" z3="6.14261211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.31160682" y3="-0.95804698" z3="8.52823241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26740264" y3="-1.51094482" z3="8.53196535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.22652331" y3="-0.45685462" z3="9.51585467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.19130094" y3="-2.00689166" z3="8.40498892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.33636618" y3="-2.54167304" z3="7.44772528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30777427" y3="-2.75815074" z3="9.21221674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21782629" y3="-1.41878767" z3="8.44889797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.38332437" y3="-0.93066387" z3="9.43153923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28080847" y3="-0.61712014" z3="7.69158482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.34443018" y3="-2.42427912" z3="8.19077087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.30893379" y3="-1.88260577" z3="8.15237683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.20286668" y3="-2.87024387" z3="7.1878814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44820548" y3="-3.54338249" z3="9.2270884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.55645157" y3="-3.12849029" z3="10.24664404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.54886829" y3="-4.18298504" z3="9.22396408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.32091094" y3="-4.19330946" z3="9.03290683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45433744" y3="-1.3609778" z3="5.91013111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35560483" y3="0.06821966" z3="7.42667637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64235182" y3="0.90007851" z3="7.4753346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.87212202" y3="1.38427609" z3="6.28670185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.12554017" y3="2.12311249" z3="5.9595835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.88707505" y3="1.80377996" z3="6.15931383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.7765046" y3="0.49462358" z3="5.63431451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.60088955" y3="1.00801868" z3="7.74472957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73388057" y3="1.91591916" z3="8.3819937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36040068" y3="0.27553898" z3="8.07948221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20597521" y3="0.40372144" z3="7.96859333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.02529696" y3="-0.38156048" z3="7.2001822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.17026901" y3="-0.11404527" z3="8.93646133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07831394" y3="1.4419595" z3="7.93495861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10524224" y3="2.41408634" z3="7.16813259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5427794" y3="1.54159587" z3="8.91387482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.793,-1.326,1.6855;-3.8187,-1.7261,1.7825;-2.1603,-2.1254,1.2574;-2.829,-.497,.9531;-2.269,-.851,3.0387;-1.2276,-.4897,2.9243;-2.2428,-1.6966,3.7461;-3.1222,.2529,3.6637;-4.1525,-.1256,3.785;-3.1697,1.1166,2.9702;-2.6221,.7187,5.0267;-3.1781,1.6198,5.3593;-1.5588,1.0219,4.9677;-2.8052,-.316,6.1426;-2.3116,-.958,8.5282;-3.2674,-1.5109,8.532;-2.2265,-.4569,9.5159;-1.1913,-2.0069,8.405;-1.3364,-2.5417,7.4477;-1.3078,-2.7582,9.2122;.2178,-1.4188,8.4489;.3833,-.9307,9.4315;.2808,-.6171,7.6916;1.3444,-2.4243,8.1908;2.3089,-1.8826,8.1524;1.2029,-2.8702,7.1879;1.4482,-3.5434,9.2271;1.5565,-3.1285,10.2466;.5489,-4.183,9.224;2.3209,-4.1933,9.0329;-3.4543,-1.361,5.9101;-2.3556,.0682,7.4267;-1.6424,.9001,7.4753;-6.8721,1.3843,6.2867;-6.1255,2.1231,5.9596;-7.8871,1.8038,6.1593;-6.7765,.4946,5.6343;-6.6009,1.008,7.7447;-6.7339,1.9159,8.382;-7.3604,.2755,8.0795;-5.206,.4037,7.9686;-5.0253,-.3816,7.2002;-5.1703,-.114,8.9365;-4.0783,1.442,7.935;-4.1052,2.4141,7.1681;-3.5428,1.5416,8.9139;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723211058149</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.014993238854 0.002035445172 0.037547918303 0.008512641579</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.024329019 -0.009566551 0.000073239 0.000149048 0.000338061 0.000355587 0.000659916 0.000817984 0.001069394 0.001918348 0.002582133 0.002934207 0.003508683 0.004285550 0.005006264 0.005589077 0.005833136 0.007307350 0.008128833 0.008832817 0.010378059 0.011263777 0.015839040 0.017339694 0.018074037 0.021015594 0.023109541 0.027360691 0.028747705 0.030509059 0.031788429 0.033519083 0.037015625 0.039531236 0.044595517 0.046464637 0.047535903 0.048396245 0.050016932 0.050191796 0.050774690 0.052545453 0.052638667 0.054604924 0.056769410 0.057679821 0.059184281 0.064518679 0.065633032 0.066296864 0.071198623 0.074207928 0.076291603 0.077071067 0.077443680 0.080010545 0.081605428 0.087015458 0.089366139 0.090778271 0.093464596 0.095989019 0.100371764 0.107594592 0.110655183 0.112832266 0.113373759 0.119171055 0.122705629 0.128257185 0.136353645 0.140092909 0.141388211 0.145077157 0.151017063 0.153567573 0.157027248 0.170324005 0.178756802 0.181992698 0.184514689 0.193316159 0.195430693 0.211546711 0.213256634 0.218241783 0.229037492 0.241802947 0.258956566 0.261960608 0.297137618 0.313436236 0.340642430 0.399446412 0.411727984 0.460017655 0.518761364 0.526634378 0.565355492 0.597343244 0.633420640 0.665921294 0.675102500 0.740231056 0.748699941 0.752662294 0.757128826 0.773205218 0.781250646 0.785042290 0.789365637 0.798565553 0.801716087 0.811059881 0.813283206 0.820156217 0.825646821 0.849769770 0.853228225 0.855879930 0.868012041 0.892575733 0.894238159 0.895621653 0.912804322 0.917924695 0.920232465 0.926676824 0.952872460 0.976630429 1.376284920 1.484093150</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">55</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79435611" y3="-1.32295027" z3="1.69201143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82035642" y3="-1.72256409" z3="1.78830815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16174976" y3="-2.12284293" z3="1.26475514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82941866" y3="-0.49418832" z3="0.95934333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27127478" y3="-0.84771497" z3="3.04555588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22975318" y3="-0.48652123" z3="2.93162735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2453728" y3="-1.69331266" z3="3.75298393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12500876" y3="0.25638499" z3="3.66976641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15522557" y3="-0.12238243" z3="3.79098781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17243239" y3="1.11959552" z3="2.9755659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62561584" y3="0.72342277" z3="5.03257449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18232203" y3="1.62418116" z3="5.36470996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56262927" y3="1.02773887" z3="4.9736069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80725298" y3="-0.31099404" z3="6.14918862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30976247" y3="-0.95133466" z3="8.53454055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26740294" y3="-1.50161767" z3="8.54447597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.21819457" y3="-0.44875586" z3="9.52105216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.19304339" y3="-2.00374562" z3="8.40737329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.34472774" y3="-2.53963375" z3="7.45154464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30796323" y3="-2.75306373" z3="9.21658904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21837299" y3="-1.42008359" z3="8.44336725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.39031146" y3="-0.9307174" z3="9.42436236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.28066121" y3="-0.61992215" z3="7.68431446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.34057802" y3="-2.42984875" z3="8.18163751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.30669505" y3="-1.89125477" z3="8.13750532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.19283119" y3="-2.87729339" z3="7.18026167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4461629" y3="-3.54747713" z3="9.21941939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.56096055" y3="-3.13115159" z3="10.23774653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.54487358" y3="-4.18447788" z3="9.22202454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.31598414" y3="-4.20036021" z3="9.02185759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45645175" y3="-1.35602787" z3="5.91794002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35462255" y3="0.07295569" z3="7.43163671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64266945" y3="0.9055341" z3="7.47917782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.85813952" y3="1.3651086" z3="6.27231197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.11315208" y3="2.10460857" z3="5.93560077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.87902153" y3="1.78071774" z3="6.12176592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.7601861" y3="0.47388666" z3="5.63155017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59826849" y3="1.00932185" z3="7.73388944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72435431" y3="1.89673251" z3="8.36415479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36093934" y3="0.27932576" z3="8.07177479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2061077" y3="0.40460507" z3="7.9687993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.02443066" y3="-0.37838618" z3="7.21288477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.18220043" y3="-0.09526834" z3="8.96334001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08043985" y3="1.44649397" z3="7.93966201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10468099" y3="2.41881167" z3="7.17534486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54187227" y3="1.54492221" z3="8.91899737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7944,-1.323,1.692;-3.8204,-1.7226,1.7883;-2.1617,-2.1228,1.2648;-2.8294,-.4942,.9593;-2.2713,-.8477,3.0456;-1.2298,-.4865,2.9316;-2.2454,-1.6933,3.753;-3.125,.2564,3.6698;-4.1552,-.1224,3.791;-3.1724,1.1196,2.9756;-2.6256,.7234,5.0326;-3.1823,1.6242,5.3647;-1.5626,1.0277,4.9736;-2.8073,-.311,6.1492;-2.3098,-.9513,8.5345;-3.2674,-1.5016,8.5445;-2.2182,-.4488,9.5211;-1.193,-2.0037,8.4074;-1.3447,-2.5396,7.4515;-1.308,-2.7531,9.2166;.2184,-1.4201,8.4434;.3903,-.9307,9.4244;.2807,-.6199,7.6843;1.3406,-2.4298,8.1816;2.3067,-1.8913,8.1375;1.1928,-2.8773,7.1803;1.4462,-3.5475,9.2194;1.561,-3.1312,10.2377;.5449,-4.1845,9.222;2.316,-4.2004,9.0219;-3.4565,-1.356,5.9179;-2.3546,.073,7.4316;-1.6427,.9055,7.4792;-6.8581,1.3651,6.2723;-6.1132,2.1046,5.9356;-7.879,1.7807,6.1218;-6.7602,.4739,5.6316;-6.5983,1.0093,7.7339;-6.7244,1.8967,8.3642;-7.3609,.2793,8.0718;-5.2061,.4046,7.9688;-5.0244,-.3784,7.2129;-5.1822,-.0953,8.9633;-4.0804,1.4465,7.9397;-4.1047,2.4188,7.1753;-3.5419,1.5449,8.919;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723163987184</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.019726705839 0.002525750994 0.032736273439 0.008512520705</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.024828756 -0.009519519 0.000073266 0.000149528 0.000337516 0.000354462 0.000660341 0.000819511 0.001073286 0.001927415 0.002589770 0.002935756 0.003511232 0.004301600 0.005019778 0.005590226 0.005833319 0.007318783 0.008132457 0.008836929 0.010391887 0.011281875 0.015838067 0.017351516 0.018075681 0.021025857 0.023113601 0.027361315 0.028760455 0.030510322 0.031788123 0.033518198 0.037013951 0.039531342 0.044613584 0.046465993 0.047540997 0.048397602 0.050032787 0.050191907 0.050774595 0.052545203 0.052637693 0.054609884 0.056783731 0.057681042 0.059184495 0.064623611 0.065829165 0.066303795 0.071581721 0.076284642 0.076996479 0.077228847 0.079871019 0.081195496 0.081620972 0.087071430 0.090420132 0.092288675 0.093698826 0.098742262 0.100532596 0.108596019 0.110699464 0.112832459 0.113375082 0.119171098 0.123924240 0.128259164 0.136353412 0.140104255 0.141713600 0.145377594 0.151854833 0.153570850 0.157029445 0.170331903 0.178757956 0.181993733 0.184514634 0.193761538 0.198722236 0.211626838 0.213282899 0.218267798 0.230899138 0.242220563 0.259232838 0.261967840 0.297137457 0.313466054 0.340643349 0.399823371 0.412170235 0.460027224 0.518759748 0.526646434 0.565355554 0.597344691 0.633427918 0.668137249 0.675105028 0.740241783 0.752632056 0.756579673 0.757378541 0.773207369 0.781267820 0.785042398 0.789365685 0.798959931 0.801768444 0.811066881 0.815305771 0.820190872 0.825649800 0.849811534 0.853246550 0.856470240 0.868013099 0.892583571 0.895575241 0.897286260 0.912916983 0.917935063 0.920233481 0.930791580 0.971196691 0.976789620 1.376410273 1.484205005</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">56</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79526135" y3="-1.31958708" z3="1.69814411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82140466" y3="-1.71905915" z3="1.79366837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16240829" y3="-2.11954979" z3="1.27138912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82966513" y3="-0.49079234" z3="0.96549107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27315079" y3="-0.84444019" z3="3.0520666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23174217" y3="-0.48272139" z3="2.93883901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24728325" y3="-1.69010237" z3="3.75946965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12761828" y3="0.25920779" z3="3.67607214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15777455" y3="-0.11989963" z3="3.79687982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17540027" y3="1.12249226" z3="2.98202654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.62803244" y3="0.72645368" z3="5.03865136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18498062" y3="1.62698804" z3="5.37199007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56524761" y3="1.03152965" z3="4.97935611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8076147" y3="-0.3075247" z3="6.15528269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30970313" y3="-0.94400816" z3="8.54233933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26849301" y3="-1.4921764" z3="8.55901527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.21119388" y3="-0.44085134" z3="9.52773866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.19622851" y3="-1.99939378" z3="8.40870213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.35491607" y3="-2.53460641" z3="7.45363431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30864807" y3="-2.74859034" z3="9.21838369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21714615" y3="-1.42017649" z3="8.43739393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.39525625" y3="-0.93022801" z3="9.4169546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27847266" y3="-0.62102244" z3="7.67725339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.33509503" y3="-2.43369657" z3="8.17168102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.30244381" y3="-1.89790598" z3="8.12173295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.18105494" y3="-2.88247217" z3="7.17185851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44326193" y3="-3.549949" z3="9.2107439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.56473281" y3="-3.13242867" z3="10.22777963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.5405042" y3="-4.18476102" z3="9.21927477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.31035108" y3="-4.2052919" z3="9.00947211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45174558" y3="-1.35554608" z3="5.92491803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35972512" y3="0.08124378" z3="7.43960799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64660365" y3="0.91310886" z3="7.48507856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.84622075" y3="1.34987325" z3="6.25450442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.09693166" y3="2.08254597" z3="5.92034932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.85685671" y3="1.76140216" z3="6.10605831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.73843487" y3="0.44115039" z3="5.62559796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59487054" y3="1.00619494" z3="7.7238018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7313683" y3="1.92443805" z3="8.33988463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36163062" y3="0.2835497" z3="8.0657927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20667587" y3="0.40548962" z3="7.97964659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.01922177" y3="-0.39429115" z3="7.2307652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.18803436" y3="-0.08915964" z3="8.964773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07608514" y3="1.44325314" z3="7.94323497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10620305" y3="2.41651187" z3="7.17575082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54491291" y3="1.54525528" z3="8.92483906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7953,-1.3196,1.6981;-3.8214,-1.7191,1.7937;-2.1624,-2.1195,1.2714;-2.8297,-.4908,.9655;-2.2732,-.8444,3.0521;-1.2317,-.4827,2.9388;-2.2473,-1.6901,3.7595;-3.1276,.2592,3.6761;-4.1578,-.1199,3.7969;-3.1754,1.1225,2.982;-2.628,.7265,5.0387;-3.185,1.627,5.372;-1.5652,1.0315,4.9794;-2.8076,-.3075,6.1553;-2.3097,-.944,8.5423;-3.2685,-1.4922,8.559;-2.2112,-.4409,9.5277;-1.1962,-1.9994,8.4087;-1.3549,-2.5346,7.4536;-1.3086,-2.7486,9.2184;.2171,-1.4202,8.4374;.3953,-.9302,9.417;.2785,-.621,7.6773;1.3351,-2.4337,8.1717;2.3024,-1.8979,8.1217;1.1811,-2.8825,7.1719;1.4433,-3.5499,9.2107;1.5647,-3.1324,10.2278;.5405,-4.1848,9.2193;2.3104,-4.2053,9.0095;-3.4517,-1.3555,5.9249;-2.3597,.0812,7.4396;-1.6466,.9131,7.4851;-6.8462,1.3499,6.2545;-6.0969,2.0825,5.9203;-7.8569,1.7614,6.1061;-6.7384,.4412,5.6256;-6.5949,1.0062,7.7238;-6.7314,1.9244,8.3399;-7.3616,.2835,8.0658;-5.2067,.4055,7.9796;-5.0192,-.3943,7.2308;-5.188,-.0892,8.9648;-4.0761,1.4433,7.9432;-4.1062,2.4165,7.1758;-3.5449,1.5453,8.9248;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723278610619</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.014032009386 0.001821306604 0.043664238259 0.008511592745</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.025307474 -0.004688317 0.000080932 0.000149699 0.000341379 0.000373098 0.000660141 0.000819650 0.001076544 0.001929440 0.002592298 0.002936423 0.003511579 0.004307476 0.005070909 0.005590216 0.005833748 0.007327406 0.008128688 0.008844820 0.010392828 0.011283584 0.015843756 0.017364225 0.018077964 0.021029781 0.023114115 0.027362760 0.028776016 0.030517405 0.031789051 0.033519600 0.037027219 0.039531993 0.044621313 0.046467017 0.047541075 0.048405251 0.050041296 0.050191951 0.050774528 0.052544984 0.052637045 0.054609417 0.056783797 0.057683643 0.059185538 0.064822104 0.065921015 0.066310347 0.071585962 0.076284276 0.076996955 0.077230946 0.079936872 0.081576777 0.082124110 0.087144520 0.090415043 0.092532681 0.093796038 0.099990088 0.101495750 0.110239566 0.111459088 0.112834600 0.113384441 0.119171304 0.124257397 0.128259033 0.136355170 0.140108526 0.142106518 0.145485268 0.152059480 0.153571041 0.157038603 0.170344815 0.178758186 0.182150012 0.184515093 0.193811554 0.200363883 0.211650438 0.213288922 0.218334301 0.232348641 0.242375188 0.260202135 0.262089000 0.297137448 0.313483216 0.340643733 0.399872304 0.412228679 0.460027001 0.518815321 0.526754149 0.565355555 0.597344779 0.633428093 0.669106904 0.675107640 0.740244780 0.752644940 0.757072907 0.761373729 0.773208576 0.781274568 0.785043588 0.789365947 0.800302762 0.802300762 0.811078819 0.815765001 0.820201128 0.825650089 0.849831228 0.853254991 0.856863034 0.868013115 0.892584133 0.895580199 0.902270323 0.912986542 0.917936589 0.920234762 0.933523130 0.976544436 0.985341752 1.376610431 1.484269707</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">57</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79798613" y3="-1.31645397" z3="1.70452327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82411333" y3="-1.71597288" z3="1.79985844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16497145" y3="-2.11637538" z3="1.2779749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83230059" y3="-0.48770689" z3="0.97183606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27621869" y3="-0.84114686" z3="3.05850818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23498464" y3="-0.47891643" z3="2.94549083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24998946" y3="-1.686767" z3="3.76590294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13119254" y3="0.26199709" z3="3.68258786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1609867" y3="-0.1178628" z3="3.80418573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18020139" y3="1.12496731" z3="2.98826549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63083373" y3="0.73013394" z3="5.04460611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18883957" y3="1.62961693" z3="5.37882331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.56867878" y3="1.03696046" z3="4.98402177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8081735" y3="-0.30351067" z3="6.16181725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30681402" y3="-0.9378243" z3="8.54894278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26699485" y3="-1.48306089" z3="8.57158071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.20174532" y3="-0.43342491" z3="9.53287695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.19750243" y3="-1.99671768" z3="8.41148577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.36227067" y3="-2.53290963" z3="7.45827353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30835143" y3="-2.7443437" z3="9.22284295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2175728" y3="-1.42160397" z3="8.43214893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.40214908" y3="-0.93075912" z3="9.41002992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27713295" y3="-0.62388016" z3="7.67035599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.33119135" y3="-2.43865909" z3="8.16221915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.29967076" y3="-1.90562824" z3="8.10597921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.17041471" y3="-2.88878213" z3="7.16407862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44196099" y3="-3.55330697" z3="9.20274692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.56994681" y3="-3.13431714" z3="10.2182976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.53761369" y3="-4.18567962" z3="9.21726357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.30616057" y3="-4.21136331" z3="8.99811667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45266969" y3="-1.35192337" z3="5.93311294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35970472" y3="0.08638125" z3="7.4454038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64680766" y3="0.91863056" z3="7.48930528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.82945925" y3="1.32944963" z3="6.23839117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.08119423" y3="2.06400867" z3="5.90076653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.84891165" y3="1.73952174" z3="6.06239407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.71799778" y3="0.42777993" z3="5.618148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59439981" y3="1.00606444" z3="7.71297772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73506022" y3="1.92278208" z3="8.31799656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36306666" y3="0.28555538" z3="8.05495059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20613475" y3="0.4055503" z3="7.98749745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.01347805" y3="-0.39492271" z3="7.24985406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.19835273" y3="-0.07596312" z3="8.98332177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07626757" y3="1.44439133" z3="7.95076731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10701189" y3="2.41807248" z3="7.18519051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54411664" y3="1.54837563" z3="8.93216907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.798,-1.3165,1.7045;-3.8241,-1.716,1.7999;-2.165,-2.1164,1.278;-2.8323,-.4877,.9718;-2.2762,-.8411,3.0585;-1.235,-.4789,2.9455;-2.25,-1.6868,3.7659;-3.1312,.262,3.6826;-4.161,-.1179,3.8042;-3.1802,1.125,2.9883;-2.6308,.7301,5.0446;-3.1888,1.6296,5.3788;-1.5687,1.037,4.984;-2.8082,-.3035,6.1618;-2.3068,-.9378,8.5489;-3.267,-1.4831,8.5716;-2.2017,-.4334,9.5329;-1.1975,-1.9967,8.4115;-1.3623,-2.5329,7.4583;-1.3084,-2.7443,9.2228;.2176,-1.4216,8.4321;.4021,-.9308,9.41;.2771,-.6239,7.6704;1.3312,-2.4387,8.1622;2.2997,-1.9056,8.106;1.1704,-2.8888,7.1641;1.442,-3.5533,9.2027;1.5699,-3.1343,10.2183;.5376,-4.1857,9.2173;2.3062,-4.2114,8.9981;-3.4527,-1.3519,5.9331;-2.3597,.0864,7.4454;-1.6468,.9186,7.4893;-6.8295,1.3294,6.2384;-6.0812,2.064,5.9008;-7.8489,1.7395,6.0624;-6.718,.4278,5.6181;-6.5944,1.0061,7.713;-6.7351,1.9228,8.318;-7.3631,.2856,8.055;-5.2061,.4056,7.9875;-5.0135,-.3949,7.2499;-5.1984,-.076,8.9833;-4.0763,1.4444,7.9508;-4.107,2.4181,7.1852;-3.5441,1.5484,8.9322;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723322803507</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008362648635 0.001343784571 0.033005887541 0.008512170649</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.025193290 -0.003614640 0.000080240 0.000150010 0.000342779 0.000368010 0.000659799 0.000820364 0.001079607 0.001930649 0.002592386 0.002936447 0.003512612 0.004308048 0.005063949 0.005591037 0.005833680 0.007327479 0.008127134 0.008852459 0.010396079 0.011284569 0.015845542 0.017370122 0.018079299 0.021031430 0.023113779 0.027362774 0.028782313 0.030524594 0.031791265 0.033523104 0.037052461 0.039532547 0.044702367 0.046478186 0.047560068 0.048444791 0.050156698 0.050192475 0.050774485 0.052544604 0.052636708 0.054633514 0.056780843 0.057697569 0.059186596 0.065202384 0.066134584 0.066352745 0.071592262 0.076285575 0.077005994 0.077243000 0.079944636 0.081578339 0.082073186 0.087199955 0.090467971 0.092534053 0.093790996 0.100029318 0.101818852 0.110443752 0.112817341 0.113149082 0.113529732 0.119171493 0.124235753 0.128259663 0.136359138 0.140108146 0.142464307 0.145478492 0.152078426 0.153575256 0.157117164 0.170374491 0.178756854 0.183389358 0.184536676 0.193813313 0.200646244 0.212445886 0.213313323 0.218480230 0.233206414 0.242434214 0.260698396 0.262234742 0.297138369 0.313485607 0.340643839 0.399929335 0.412315550 0.460028610 0.518939386 0.526949514 0.565355849 0.597344776 0.633428036 0.669116560 0.675108712 0.740244359 0.752646816 0.757075515 0.761965282 0.773209811 0.781277961 0.785044517 0.789366022 0.801082098 0.805504327 0.811121846 0.815814013 0.820207547 0.825651495 0.849832120 0.853254913 0.856869120 0.868014169 0.892584120 0.895580028 0.907411793 0.913048220 0.917941234 0.920235255 0.934477805 0.976578827 0.988495430 1.376652696 1.484272996</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">58</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80026746" y3="-1.31317641" z3="1.71072348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82598925" y3="-1.71362149" z3="1.8057996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16648801" y3="-2.1124677" z3="1.2842141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83518713" y3="-0.4844698" z3="0.97800339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27910491" y3="-0.83749211" z3="3.06483299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23819043" y3="-0.47438121" z3="2.95177439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25210691" y3="-1.68310313" z3="3.77221688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13513163" y3="0.2648581" z3="3.68887372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16420399" y3="-0.1164689" z3="3.81165214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18571725" y3="1.12732101" z3="2.99397103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63469966" y3="0.73451561" z3="5.05031906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19364254" y3="1.63374784" z3="5.3833194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.5729319" y3="1.04265382" z3="4.98859226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80951303" y3="-0.29948338" z3="6.16824658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30308892" y3="-0.93343731" z3="8.55452739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26573204" y3="-1.47463943" z3="8.58256557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.19220049" y3="-0.42698577" z3="9.53684454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.19807799" y3="-1.99651897" z3="8.41516254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.36889002" y3="-2.53362635" z3="7.46338677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3075489" y3="-2.74215405" z3="9.22852854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21834676" y3="-1.42455857" z3="8.42833165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.40891378" y3="-0.93324075" z3="9.40485308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27548326" y3="-0.62760961" z3="7.66554668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.32831096" y3="-2.44412078" z3="8.1536894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.29761634" y3="-1.91329405" z3="8.09158431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.16107392" y3="-2.8950189" z3="7.15698832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.44213201" y3="-3.55756868" z3="9.19507188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.57692718" y3="-3.13735439" z3="10.20934004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.53608732" y3="-4.18742024" z3="9.21550613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.30349001" y3="-4.21819148" z3="8.98653289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45672961" y3="-1.34694157" z3="5.94078426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35339152" y3="0.08725325" z3="7.44826062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64521229" y3="0.92312551" z3="7.49270655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.81909308" y3="1.31670266" z3="6.21730602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.06887515" y3="2.04855605" z3="5.88377733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.82933563" y3="1.71733648" z3="6.04095575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.69046656" y3="0.39477404" z3="5.60976558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59525436" y3="1.00657956" z3="7.69917106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74288961" y3="1.92540498" z3="8.29581886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36657005" y3="0.28787961" z3="8.03958154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20999365" y3="0.41237488" z3="7.9941028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.0073469" y3="-0.40256299" z3="7.2683057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.20926788" y3="-0.05621994" z3="8.99651357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08322673" y3="1.45431969" z3="7.9590697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11238403" y3="2.42704772" z3="7.19422213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54360084" y3="1.55213336" z3="8.93654803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8003,-1.3132,1.7107;-3.826,-1.7136,1.8058;-2.1665,-2.1125,1.2842;-2.8352,-.4845,.978;-2.2791,-.8375,3.0648;-1.2382,-.4744,2.9518;-2.2521,-1.6831,3.7722;-3.1351,.2649,3.6889;-4.1642,-.1165,3.8117;-3.1857,1.1273,2.994;-2.6347,.7345,5.0503;-3.1936,1.6337,5.3833;-1.5729,1.0427,4.9886;-2.8095,-.2995,6.1682;-2.3031,-.9334,8.5545;-3.2657,-1.4746,8.5826;-2.1922,-.427,9.5368;-1.1981,-1.9965,8.4152;-1.3689,-2.5336,7.4634;-1.3075,-2.7422,9.2285;.2183,-1.4246,8.4283;.4089,-.9332,9.4049;.2755,-.6276,7.6655;1.3283,-2.4441,8.1537;2.2976,-1.9133,8.0916;1.1611,-2.895,7.157;1.4421,-3.5576,9.1951;1.5769,-3.1374,10.2093;.5361,-4.1874,9.2155;2.3035,-4.2182,8.9865;-3.4567,-1.3469,5.9408;-2.3534,.0873,7.4483;-1.6452,.9231,7.4927;-6.8191,1.3167,6.2173;-6.0689,2.0486,5.8838;-7.8293,1.7173,6.041;-6.6905,.3948,5.6098;-6.5953,1.0066,7.6992;-6.7429,1.9254,8.2958;-7.3666,.2879,8.0396;-5.21,.4124,7.9941;-5.0073,-.4026,7.2683;-5.2093,-.0562,8.9965;-4.0832,1.4543,7.9591;-4.1124,2.427,7.1942;-3.5436,1.5521,8.9365;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723320991794</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007247097775 0.001470684703 0.036980944905 0.008513097088</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.026423600 -0.004279890 0.000081052 0.000150409 0.000343092 0.000366708 0.000659584 0.000869197 0.001083789 0.001935864 0.002594223 0.002936442 0.003519499 0.004316720 0.005064384 0.005591093 0.005833494 0.007329358 0.008173019 0.008852391 0.010423554 0.011284938 0.015865620 0.017386927 0.018082245 0.021034529 0.023113553 0.027362862 0.028782268 0.030526571 0.031790693 0.033521547 0.037048265 0.039532415 0.044800613 0.046496110 0.047594133 0.048493589 0.050191719 0.050364137 0.050774918 0.052549354 0.052637025 0.054634551 0.056780191 0.057704324 0.059188656 0.065312820 0.066230299 0.066447558 0.071595549 0.076286070 0.077011948 0.077257369 0.079940160 0.081593692 0.082219748 0.087228495 0.090576475 0.092678930 0.093834194 0.100028221 0.101871397 0.110464811 0.112824620 0.113323986 0.114275943 0.119172210 0.124299574 0.128263838 0.136376092 0.140108060 0.143535048 0.145479410 0.152311406 0.153591700 0.157256315 0.170409917 0.178755815 0.184407070 0.185136043 0.193813948 0.200630118 0.213264130 0.214668561 0.218991575 0.234053415 0.242451288 0.261292571 0.263067016 0.297138300 0.313486346 0.340644211 0.400182024 0.412691582 0.460036794 0.519403113 0.527898040 0.565357099 0.597345346 0.633428114 0.669117168 0.675112349 0.740243832 0.752647431 0.757075459 0.761963378 0.773209532 0.781277228 0.785044649 0.789366307 0.801192942 0.809731931 0.811535710 0.815829316 0.820213363 0.825656469 0.849843454 0.853256830 0.857173960 0.868014512 0.892584321 0.895579967 0.911633468 0.913468932 0.917947234 0.920236225 0.935201925 0.976593011 0.989457946 1.376653548 1.484288593</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">59</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80465168" y3="-1.30967882" z3="1.71720941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83016028" y3="-1.71084915" z3="1.81276846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17053787" y3="-2.1083447" z3="1.28988003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.84059618" y3="-0.48054647" z3="0.98503132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.2829162" y3="-0.83421361" z3="3.07115973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24239947" y3="-0.46999132" z3="2.95751655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25458264" y3="-1.68003133" z3="3.77829199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13931568" y3="0.26716748" z3="3.69644553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16796574" y3="-0.11501103" z3="3.8206753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19185567" y3="1.12970061" z3="3.00179675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63652018" y3="0.73717895" z3="5.0568704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19404136" y3="1.63712736" z3="5.39037196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.57464296" y3="1.04458226" z3="4.99309992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80932566" y3="-0.29591826" z3="6.17586093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30195696" y3="-0.9248412" z3="8.56348505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2663738" y3="-1.46270512" z3="8.5985025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.18331271" y3="-0.41731268" z3="9.54445958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.20158572" y3="-1.99208031" z3="8.41830772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.37997623" y3="-2.52871844" z3="7.46753474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30890815" y3="-2.73717104" z3="9.23245815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21668806" y3="-1.42429652" z3="8.42324601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.41378352" y3="-0.93232068" z3="9.39824705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.27173961" y3="-0.62823452" z3="7.65938718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.32218212" y3="-2.44749572" z3="8.1437205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.29276983" y3="-1.91949175" z3="8.07472371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.14755119" y3="-2.90000646" z3="7.14890742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43868088" y3="-3.55907723" z3="9.18684146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58062423" y3="-3.13687939" z3="10.19933121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.53070457" y3="-4.18608396" z3="9.21408979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.29678308" y3="-4.22287434" z3="8.97470118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4534701" y3="-1.34582911" z3="5.95004607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35492727" y3="0.09491188" z3="7.45606025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64741179" y3="0.93156434" z3="7.49888538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.79680311" y3="1.2956033" z3="6.20744093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.04507059" y3="2.02702342" z3="5.86753058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.81511278" y3="1.69862377" z3="6.00397481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.67020731" y3="0.38247163" z3="5.60697825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.58966758" y3="0.9985714" z3="7.68790029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74021226" y3="1.93157468" z3="8.26982339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36479966" y3="0.28483035" z3="8.03019835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.20915491" y3="0.41052794" z3="7.99656848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-5.0006155" y3="-0.40679512" z3="7.27847841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.21698949" y3="-0.0514211" z3="8.99904437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08160604" y3="1.4514995" z3="7.96444189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11239492" y3="2.42654985" z3="7.20133411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54540746" y3="1.54916685" z3="8.94426114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8047,-1.3097,1.7172;-3.8302,-1.7108,1.8128;-2.1705,-2.1083,1.2899;-2.8406,-.4805,.985;-2.2829,-.8342,3.0712;-1.2424,-.47,2.9575;-2.2546,-1.68,3.7783;-3.1393,.2672,3.6964;-4.168,-.115,3.8207;-3.1919,1.1297,3.0018;-2.6365,.7372,5.0569;-3.194,1.6371,5.3904;-1.5746,1.0446,4.9931;-2.8093,-.2959,6.1759;-2.302,-.9248,8.5635;-3.2664,-1.4627,8.5985;-2.1833,-.4173,9.5445;-1.2016,-1.9921,8.4183;-1.38,-2.5287,7.4675;-1.3089,-2.7372,9.2325;.2167,-1.4243,8.4232;.4138,-.9323,9.3982;.2717,-.6282,7.6594;1.3222,-2.4475,8.1437;2.2928,-1.9195,8.0747;1.1476,-2.9,7.1489;1.4387,-3.5591,9.1868;1.5806,-3.1369,10.1993;.5307,-4.1861,9.2141;2.2968,-4.2229,8.9747;-3.4535,-1.3458,5.95;-2.3549,.0949,7.4561;-1.6474,.9316,7.4989;-6.7968,1.2956,6.2074;-6.0451,2.027,5.8675;-7.8151,1.6986,6.004;-6.6702,.3825,5.607;-6.5897,.9986,7.6879;-6.7402,1.9316,8.2698;-7.3648,.2848,8.0302;-5.2092,.4105,7.9966;-5.0006,-.4068,7.2785;-5.217,-.0514,8.999;-4.0816,1.4515,7.9644;-4.1124,2.4265,7.2013;-3.5454,1.5492,8.9443;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723322669890</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008652730637 0.001610655519 0.028027285603 0.008512055470</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.027597602 -0.005250802 0.000085294 0.000152430 0.000343716 0.000370054 0.000659570 0.001036887 0.001090382 0.002003622 0.002605405 0.002936441 0.003606204 0.004343278 0.005193887 0.005609229 0.005833859 0.007332194 0.008188555 0.008893647 0.010580645 0.011288148 0.016008307 0.017492427 0.018102993 0.021037683 0.023114333 0.027362973 0.028782378 0.030527542 0.031793453 0.033523335 0.037056183 0.039533430 0.044796074 0.046497864 0.047592679 0.048505467 0.050192229 0.050462511 0.050778519 0.052552933 0.052637242 0.054630008 0.056777917 0.057703057 0.059188330 0.065313847 0.066233370 0.066446614 0.071596419 0.076285754 0.077011381 0.077258130 0.079940327 0.081594470 0.082244547 0.087248904 0.090617056 0.092733013 0.093858495 0.100028891 0.101877840 0.110470730 0.112824671 0.113334153 0.114624594 0.119172532 0.124640205 0.128281727 0.136396929 0.140109699 0.145176107 0.145683166 0.152351683 0.153604738 0.157350942 0.170435802 0.178764594 0.184451490 0.186187462 0.193824839 0.200784855 0.213269380 0.216769828 0.220989674 0.234902839 0.242490315 0.261492852 0.265325361 0.297144647 0.313487355 0.340644766 0.400543620 0.413409627 0.460040654 0.520126077 0.530709862 0.565360851 0.597349647 0.633429284 0.669121022 0.675122610 0.740244678 0.752647740 0.757076578 0.762041695 0.773210258 0.781279848 0.785044574 0.789366449 0.801226395 0.810858242 0.815430303 0.817038526 0.820223012 0.825666421 0.849864600 0.853261273 0.857966780 0.868015627 0.892585272 0.895581641 0.912797485 0.917082055 0.918091591 0.920236392 0.935490320 0.976593188 0.989561833 1.376661270 1.484301808</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">60</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80740539" y3="-1.3074028" z3="1.72161506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83215714" y3="-1.71021188" z3="1.81729917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17229215" y3="-2.10477257" z3="1.29336652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.84494735" y3="-0.47784885" z3="0.98995313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28556973" y3="-0.83205784" z3="3.07562636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24561151" y3="-0.46653943" z3="2.96146275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25558737" y3="-1.6783208" z3="3.78217183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14289578" y3="0.26795488" z3="3.70207322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17053319" y3="-0.11614675" z3="3.82807396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19790894" y3="1.13016315" z3="3.00717515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.63891872" y3="0.73924065" z3="5.0617352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19664228" y3="1.63912628" z3="5.39463343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.57734148" y3="1.0471695" z3="4.9962068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.80983946" y3="-0.29371953" z3="6.18161556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29858512" y3="-0.92297466" z3="8.56809916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26402343" y3="-1.45786268" z3="8.60684858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.17598406" y3="-0.41420948" z3="9.54749826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.20166439" y3="-1.99216988" z3="8.42116566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.38443094" y3="-2.52902457" z3="7.47185117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30705699" y3="-2.735943" z3="9.23665703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21664558" y3="-1.42583273" z3="8.41928654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.41862549" y3="-0.93355146" z3="9.39292621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26862355" y3="-0.6303897" z3="7.65456137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.31930477" y3="-2.45016279" z3="8.13542458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.28986193" y3="-1.92355014" z3="8.06160264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.1394249" y3="-2.90283987" z3="7.14191849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4388731" y3="-3.56094655" z3="9.17891126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58536878" y3="-3.13815411" z3="10.19016062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.53051879" y3="-4.1864178" z3="9.21040631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.29491616" y3="-4.2259545" z3="8.96418416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45810089" y3="-1.34203836" z3="5.95705499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35027731" y3="0.09404979" z3="7.45885991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64631511" y3="0.93357585" z3="7.50209676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.78684627" y3="1.28544585" z3="6.18003431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.03304005" y3="2.0153466" z3="5.8534187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.79527751" y3="1.68034953" z3="5.97594752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.64294197" y3="0.35721926" z3="5.59102271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.59336519" y3="1.00512486" z3="7.67523443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75439429" y3="1.93486753" z3="8.25014884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36868283" y3="0.29036333" z3="8.01468911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21094698" y3="0.41460621" z3="8.01078761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9916482" y3="-0.4087392" z3="7.30285885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.23220561" y3="-0.03616053" z3="9.02213446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08568984" y3="1.45773475" z3="7.97809489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11542798" y3="2.43317226" z3="7.21786208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54157642" y3="1.5488884" z3="8.95313288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8074,-1.3074,1.7216;-3.8322,-1.7102,1.8173;-2.1723,-2.1048,1.2934;-2.8449,-.4778,.99;-2.2856,-.8321,3.0756;-1.2456,-.4665,2.9615;-2.2556,-1.6783,3.7822;-3.1429,.268,3.7021;-4.1705,-.1161,3.8281;-3.1979,1.1302,3.0072;-2.6389,.7392,5.0617;-3.1966,1.6391,5.3946;-1.5773,1.0472,4.9962;-2.8098,-.2937,6.1816;-2.2986,-.923,8.5681;-3.264,-1.4579,8.6068;-2.176,-.4142,9.5475;-1.2017,-1.9922,8.4212;-1.3844,-2.529,7.4719;-1.3071,-2.7359,9.2367;.2166,-1.4258,8.4193;.4186,-.9336,9.3929;.2686,-.6304,7.6546;1.3193,-2.4502,8.1354;2.2899,-1.9236,8.0616;1.1394,-2.9028,7.1419;1.4389,-3.5609,9.1789;1.5854,-3.1382,10.1902;.5305,-4.1864,9.2104;2.2949,-4.226,8.9642;-3.4581,-1.342,5.9571;-2.3503,.094,7.4589;-1.6463,.9336,7.5021;-6.7868,1.2854,6.18;-6.033,2.0153,5.8534;-7.7953,1.6803,5.9759;-6.6429,.3572,5.591;-6.5934,1.0051,7.6752;-6.7544,1.9349,8.2501;-7.3687,.2904,8.0147;-5.2109,.4146,8.0108;-4.9916,-.4087,7.3029;-5.2322,-.0362,9.0221;-4.0857,1.4577,7.9781;-4.1154,2.4332,7.2179;-3.5416,1.5489,8.9531;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723352726381</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009060918539 0.001496026099 0.031518087910 0.008511745085</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.028934041 -0.003885589 0.000088431 0.000152852 0.000343879 0.000367889 0.000660030 0.001066412 0.001130924 0.002040709 0.002621627 0.002937271 0.003647647 0.004374769 0.005229332 0.005636396 0.005834542 0.007337225 0.008188326 0.008973552 0.010842561 0.011300728 0.016216104 0.017693691 0.018193445 0.021044131 0.023122003 0.027362936 0.028784046 0.030528511 0.031797628 0.033526996 0.037075415 0.039534976 0.044815744 0.046498585 0.047601489 0.048504507 0.050192778 0.050451998 0.050779836 0.052552655 0.052636949 0.054660385 0.056778326 0.057710579 0.059188489 0.065329144 0.066235141 0.066458259 0.071596299 0.076286325 0.077011416 0.077257722 0.079942119 0.081595482 0.082267632 0.087255407 0.090620654 0.092735788 0.093862955 0.100030185 0.101879268 0.110471584 0.112824462 0.113334050 0.114635568 0.119172621 0.124892070 0.128306049 0.136412991 0.140111352 0.145373575 0.147532514 0.152351578 0.153612568 0.157395059 0.170449213 0.178779331 0.184451546 0.186363867 0.193837361 0.200996419 0.213267339 0.217319896 0.223541172 0.235792477 0.242549612 0.261579098 0.268895238 0.297159542 0.313487197 0.340648705 0.400774339 0.414126147 0.460040540 0.520690196 0.535721006 0.565365268 0.597353325 0.633434910 0.669197239 0.675129590 0.740247933 0.752651302 0.757079873 0.762403166 0.773211495 0.781282754 0.785044841 0.789367024 0.801230567 0.810902581 0.815476734 0.820215685 0.823571768 0.825721507 0.849892683 0.853266121 0.859632598 0.868017773 0.892588217 0.895589628 0.912857816 0.917819122 0.919645076 0.920236614 0.935499230 0.976592597 0.989618551 1.376742660 1.484300966</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">61</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81191492" y3="-1.30484818" z3="1.72827232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83618441" y3="-1.70891245" z3="1.8246395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17632065" y3="-2.10121301" z3="1.29884299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.85106357" y3="-0.47486511" z3="0.9971925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28918447" y3="-0.82974019" z3="3.08204081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24958268" y3="-0.4633461" z3="2.96685824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.257689" y3="-1.67639754" z3="3.78808271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14674661" y3="0.26944784" z3="3.70980291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17379734" y3="-0.11576042" z3="3.83724907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20363675" y3="1.13148723" z3="3.01486528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64125058" y3="0.74151555" z3="5.06856628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19719825" y3="1.64247143" z3="5.4015202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.5793317" y3="1.04796012" z3="5.00155476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81161187" y3="-0.29026554" z3="6.18962277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29843696" y3="-0.91603691" z3="8.57649087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2660642" y3="-1.44788189" z3="8.6219717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.16824802" y3="-0.40639742" z3="9.5549662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.20513627" y3="-1.988751" z3="8.42397768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.39508303" y3="-2.52587058" z3="7.47573261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30766742" y3="-2.73166007" z3="9.24069745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21458144" y3="-1.42495726" z3="8.41362899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.42279684" y3="-0.93148834" z3="9.38563267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.26377209" y3="-0.63059539" z3="7.64759443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.31364427" y3="-2.45200328" z3="8.12515016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.28528126" y3="-1.92760047" z3="8.04498085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.12691959" y3="-2.90605777" z3="7.13327485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43601096" y3="-3.56111079" z3="9.17005678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58989239" y3="-3.13629264" z3="10.17989887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52520465" y3="-4.18368087" z3="9.20827259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28895679" y3="-4.22954787" z3="8.95126742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45728662" y3="-1.34031971" z3="5.96646631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35187368" y3="0.09996307" z3="7.46631566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.64937807" y3="0.94053916" z3="7.50868084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.76261528" y3="1.26960039" z3="6.17300256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-6.00436221" y3="1.99633819" z3="5.8374287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.77448115" y3="1.66684708" z3="5.94442943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.61634412" y3="0.34062899" z3="5.59123452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.58722697" y3="0.99627426" z3="7.66255179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75099813" y3="1.9344508" z3="8.22656982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37025007" y3="0.28870384" z3="7.99864781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21399202" y3="0.41589368" z3="8.01078583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.98916922" y3="-0.4163516" z3="7.31119098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.24071315" y3="-0.02933237" z3="9.02143083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08718174" y3="1.45811835" z3="7.98561409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11482068" y3="2.43621667" z3="7.22833387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54418731" y3="1.54528436" z3="8.96250078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8119,-1.3048,1.7283;-3.8362,-1.7089,1.8246;-2.1763,-2.1012,1.2988;-2.8511,-.4749,.9972;-2.2892,-.8297,3.082;-1.2496,-.4633,2.9669;-2.2577,-1.6764,3.7881;-3.1467,.2694,3.7098;-4.1738,-.1158,3.8372;-3.2036,1.1315,3.0149;-2.6413,.7415,5.0686;-3.1972,1.6425,5.4015;-1.5793,1.048,5.0016;-2.8116,-.2903,6.1896;-2.2984,-.916,8.5765;-3.2661,-1.4479,8.622;-2.1682,-.4064,9.555;-1.2051,-1.9888,8.424;-1.3951,-2.5259,7.4757;-1.3077,-2.7317,9.2407;.2146,-1.425,8.4136;.4228,-.9315,9.3856;.2638,-.6306,7.6476;1.3136,-2.452,8.1252;2.2853,-1.9276,8.045;1.1269,-2.9061,7.1333;1.436,-3.5611,9.1701;1.5899,-3.1363,10.1799;.5252,-4.1837,9.2083;2.289,-4.2295,8.9513;-3.4573,-1.3403,5.9665;-2.3519,.1,7.4663;-1.6494,.9405,7.5087;-6.7626,1.2696,6.173;-6.0044,1.9963,5.8374;-7.7745,1.6668,5.9444;-6.6163,.3406,5.5912;-6.5872,.9963,7.6626;-6.751,1.9345,8.2266;-7.3703,.2887,7.9986;-5.214,.4159,8.0108;-4.9892,-.4164,7.3112;-5.2407,-.0293,9.0214;-4.0872,1.4581,7.9856;-4.1148,2.4362,7.2283;-3.5442,1.5453,8.9625;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723411459841</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005634192778 0.000992213359 0.030159729458 0.008512529205</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.028850323 -0.002341949 0.000089711 0.000154226 0.000343512 0.000365247 0.000660713 0.001074611 0.001167763 0.002065803 0.002623114 0.002937096 0.003651943 0.004402101 0.005228530 0.005646328 0.005835497 0.007338947 0.008186356 0.009062282 0.010962745 0.011320119 0.016276696 0.017799467 0.018291787 0.021042513 0.023136224 0.027362656 0.028808699 0.030537507 0.031804225 0.033534666 0.037095126 0.039536443 0.044845052 0.046501541 0.047615816 0.048517845 0.050192700 0.050558840 0.050782101 0.052560659 0.052636296 0.054664676 0.056778354 0.057724500 0.059189648 0.065355557 0.066235938 0.066462764 0.071601995 0.076286930 0.077017822 0.077266085 0.079949118 0.081602783 0.082614020 0.087254919 0.090636979 0.092785906 0.093878912 0.100029848 0.101880370 0.110472033 0.112824288 0.113333948 0.114635512 0.119172633 0.125410806 0.128354640 0.136420871 0.140115021 0.145371702 0.149098448 0.152533182 0.153611645 0.157392725 0.170450423 0.178791590 0.184455674 0.186402247 0.193842131 0.201115531 0.213264161 0.217390830 0.224132140 0.235923244 0.242586717 0.261591558 0.270060832 0.297171490 0.313489327 0.340652775 0.400868599 0.414573269 0.460042256 0.520912358 0.539667882 0.565371499 0.597353864 0.633443737 0.670006609 0.675129873 0.740250578 0.752655128 0.757080217 0.762432968 0.773213292 0.781289629 0.785045321 0.789368356 0.801230836 0.810902261 0.815901521 0.820231253 0.825588783 0.827245334 0.849901313 0.853266677 0.860289247 0.868018818 0.892590648 0.895596821 0.912871501 0.917833573 0.920236271 0.920442676 0.935746193 0.976600537 0.990038625 1.376743568 1.484308216</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">62</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81550427" y3="-1.30323264" z3="1.73470675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83914864" y3="-1.70868481" z3="1.8318417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17916254" y3="-2.09865756" z3="1.30458483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.85633928" y3="-0.47311279" z3="1.00386697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29236254" y3="-0.82764271" z3="3.08813937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2532264" y3="-0.46025086" z3="2.97230285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25947283" y3="-1.67435831" z3="3.79406914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15054217" y3="0.27079369" z3="3.71643662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17725241" y3="-0.11511851" z3="3.84446443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20854218" y3="1.13281496" z3="3.02160701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64427945" y3="0.74314289" z3="5.07477964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19968327" y3="1.64420613" z3="5.40871993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58246179" y3="1.04955177" z3="5.00719869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.81357066" y3="-0.2880847" z3="6.19605728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29878359" y3="-0.91194891" z3="8.58331786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26623887" y3="-1.44242628" z3="8.63296745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.16430656" y3="-0.40237914" z3="9.56058945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.20788012" y3="-1.98572292" z3="8.42619822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.40315189" y3="-2.52320081" z3="7.47960829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30726627" y3="-2.7278731" z3="9.24390434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.21237767" y3="-1.42398501" z3="8.40810583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.42610254" y3="-0.92983305" z3="9.37840409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25878401" y3="-0.63045823" z3="7.64107013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.30859877" y3="-2.45270526" z3="8.115202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.28019378" y3="-1.92958326" z3="8.02993257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.1167431" y3="-2.9073007" z3="7.12480357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43490838" y3="-3.56095547" z3="9.16054891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59235285" y3="-3.13580752" z3="10.16902701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52511275" y3="-4.18332503" z3="9.20257995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28661583" y3="-4.22912272" z3="8.93958067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45815547" y3="-1.33877528" z3="5.97387107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.35620638" y3="0.10455966" z3="7.47349684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65191486" y3="0.94398938" z3="7.51388702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.74444516" y3="1.25571878" z3="6.14836678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.98477911" y3="1.98209634" z3="5.82537623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.74962219" y3="1.6483809" z3="5.9142697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.59313928" y3="0.32417675" z3="5.57638336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.58383069" y3="1.00008086" z3="7.64928809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7525187" y3="1.94471733" z3="8.20136954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36846036" y3="0.29381379" z3="7.98597756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21321253" y3="0.4136632" z3="8.02154434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.98383833" y3="-0.42056156" z3="7.33052563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.256592" y3="-0.02343031" z3="9.038182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08305905" y3="1.45297733" z3="7.99531673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1129913" y3="2.43498863" z3="7.2417118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54381736" y3="1.53932129" z3="8.97370597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8155,-1.3032,1.7347;-3.8391,-1.7087,1.8318;-2.1792,-2.0987,1.3046;-2.8563,-.4731,1.0039;-2.2924,-.8276,3.0881;-1.2532,-.4603,2.9723;-2.2595,-1.6744,3.7941;-3.1505,.2708,3.7164;-4.1773,-.1151,3.8445;-3.2085,1.1328,3.0216;-2.6443,.7431,5.0748;-3.1997,1.6442,5.4087;-1.5825,1.0496,5.0072;-2.8136,-.2881,6.1961;-2.2988,-.9119,8.5833;-3.2662,-1.4424,8.633;-2.1643,-.4024,9.5606;-1.2079,-1.9857,8.4262;-1.4032,-2.5232,7.4796;-1.3073,-2.7279,9.2439;.2124,-1.424,8.4081;.4261,-.9298,9.3784;.2588,-.6305,7.6411;1.3086,-2.4527,8.1152;2.2802,-1.9296,8.0299;1.1167,-2.9073,7.1248;1.4349,-3.561,9.1605;1.5924,-3.1358,10.169;.5251,-4.1833,9.2026;2.2866,-4.2291,8.9396;-3.4582,-1.3388,5.9739;-2.3562,.1046,7.4735;-1.6519,.944,7.5139;-6.7444,1.2557,6.1484;-5.9848,1.9821,5.8254;-7.7496,1.6484,5.9143;-6.5931,.3242,5.5764;-6.5838,1.0001,7.6493;-6.7525,1.9447,8.2014;-7.3685,.2938,7.986;-5.2132,.4137,8.0215;-4.9838,-.4206,7.3305;-5.2566,-.0234,9.0382;-4.0831,1.453,7.9953;-4.113,2.435,7.2417;-3.5438,1.5393,8.9737;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723446535283</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004879519447 0.000785121622 0.037643059241 0.008514350631</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.028857478 -0.001829651 0.000092438 0.000155213 0.000343216 0.000365008 0.000660566 0.001074820 0.001169369 0.002071918 0.002625928 0.002937819 0.003653669 0.004402738 0.005232302 0.005649205 0.005835822 0.007339130 0.008202420 0.009125528 0.010983726 0.011339634 0.016291689 0.017865778 0.018369433 0.021059759 0.023172742 0.027362368 0.028907098 0.030575029 0.031805349 0.033535500 0.037094262 0.039536374 0.044879315 0.046508474 0.047633664 0.048550592 0.050192712 0.050745761 0.050876133 0.052588317 0.052637698 0.054666538 0.056793267 0.057730768 0.059190606 0.065351238 0.066232410 0.066450798 0.071606697 0.076287188 0.077021943 0.077271132 0.079959558 0.081604689 0.083265180 0.087285261 0.090642044 0.092833553 0.093912817 0.100031039 0.101880234 0.110472681 0.112824101 0.113333783 0.114633295 0.119173003 0.125959366 0.128416203 0.136425415 0.140117097 0.145377375 0.150012575 0.152884948 0.153611830 0.157393979 0.170452372 0.178793995 0.184462319 0.186699047 0.193843136 0.201113874 0.213267342 0.217406824 0.224325114 0.235925316 0.242582520 0.261598759 0.270342141 0.297172001 0.313492432 0.340652695 0.400895149 0.414875393 0.460052647 0.520999439 0.542008487 0.565373406 0.597353922 0.633463090 0.670645246 0.675130071 0.740256284 0.752663142 0.757080186 0.762442762 0.773224741 0.781296518 0.785045402 0.789368694 0.801233035 0.810903297 0.815973871 0.820232032 0.825632876 0.829687095 0.849901401 0.853266693 0.860298607 0.868018943 0.892590729 0.895597225 0.912884269 0.917833047 0.920236495 0.920484526 0.936075047 0.976602378 0.990850790 1.376745289 1.484312533</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">63</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82016569" y3="-1.30185563" z3="1.7412722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8432299" y3="-1.70854295" z3="1.83908118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.1830868" y3="-2.09673971" z3="1.31129783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.86230143" y3="-0.47220788" z3="1.00997335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29685948" y3="-0.82505323" z3="3.09420198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25811902" y3="-0.45681266" z3="2.97761194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26271873" y3="-1.67150069" z3="3.80034565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15560654" y3="0.27293942" z3="3.72259262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18220149" y3="-0.11326037" z3="3.85045314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2139248" y3="1.13491744" z3="3.02775925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.64934687" y3="0.74551673" z3="5.08093004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20486947" y3="1.64622777" z3="5.41566605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.58772588" y3="1.05259565" z3="5.01285895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8174078" y3="-0.28582982" z3="6.20222939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29887643" y3="-0.90980865" z3="8.58880887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26725198" y3="-1.43901375" z3="8.64351889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.15916672" y3="-0.39989727" z3="9.56548917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.20959332" y3="-1.98468859" z3="8.42753278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.40917065" y3="-2.52262071" z3="7.48219832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30598725" y3="-2.72610535" z3="9.24625126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.2106519" y3="-1.42372027" z3="8.40323444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.42852169" y3="-0.92886473" z3="9.37205502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25437094" y3="-0.63095889" z3="7.63524239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.30501202" y3="-2.45320481" z3="8.10693972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.27654654" y3="-1.93075201" z3="8.01703945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.10861334" y3="-2.90857852" z3="7.11778644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4349737" y3="-3.56058887" z3="9.15272716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59989809" y3="-3.13410813" z3="10.16027991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52288233" y3="-4.18079632" z3="9.20111883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28413996" y3="-4.23173485" z3="8.92679029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46072158" y3="-1.33707369" z3="5.98051722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3597034" y3="0.10698971" z3="7.47947228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65557293" y3="0.9464027" z3="7.51893625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.72148472" y3="1.24469208" z3="6.13663735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.95542403" y3="1.96592485" z3="5.80876739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.72758645" y3="1.63883463" z3="5.87662665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.55768075" y3="0.30232314" z3="5.57412024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.58136392" y3="0.99800912" z3="7.63784927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75419206" y3="1.94514616" z3="8.18150042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37377884" y3="0.29810492" z3="7.9685031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21671256" y3="0.41654946" z3="8.02739502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.98322987" y3="-0.42533618" z3="7.34530149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.26561001" y3="-0.01402879" z3="9.04314715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0833947" y3="1.4540574" z3="8.00566233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11093232" y3="2.43857572" z3="7.25530445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54458094" y3="1.53633268" z3="8.98486117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8202,-1.3019,1.7413;-3.8432,-1.7085,1.8391;-2.1831,-2.0967,1.3113;-2.8623,-.4722,1.01;-2.2969,-.8251,3.0942;-1.2581,-.4568,2.9776;-2.2627,-1.6715,3.8003;-3.1556,.2729,3.7226;-4.1822,-.1133,3.8505;-3.2139,1.1349,3.0278;-2.6493,.7455,5.0809;-3.2049,1.6462,5.4157;-1.5877,1.0526,5.0129;-2.8174,-.2858,6.2022;-2.2989,-.9098,8.5888;-3.2673,-1.439,8.6435;-2.1592,-.3999,9.5655;-1.2096,-1.9847,8.4275;-1.4092,-2.5226,7.4822;-1.306,-2.7261,9.2463;.2107,-1.4237,8.4032;.4285,-.9289,9.3721;.2544,-.631,7.6352;1.305,-2.4532,8.1069;2.2765,-1.9308,8.017;1.1086,-2.9086,7.1178;1.435,-3.5606,9.1527;1.5999,-3.1341,10.1603;.5229,-4.1808,9.2011;2.2841,-4.2317,8.9268;-3.4607,-1.3371,5.9805;-2.3597,.107,7.4795;-1.6556,.9464,7.5189;-6.7215,1.2447,6.1366;-5.9554,1.9659,5.8088;-7.7276,1.6388,5.8766;-6.5577,.3023,5.5741;-6.5814,.998,7.6378;-6.7542,1.9451,8.1815;-7.3738,.2981,7.9685;-5.2167,.4165,8.0274;-4.9832,-.4253,7.3453;-5.2656,-.014,9.0431;-4.0834,1.4541,8.0057;-4.1109,2.4386,7.2553;-3.5446,1.5363,8.9849;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723466428434</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004050776581 0.000907711737 0.029859135439 0.008513251052</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.028990258 -0.002806448 0.000093638 0.000155735 0.000342961 0.000363641 0.000660863 0.001075281 0.001191772 0.002075593 0.002626041 0.002937751 0.003702307 0.004405859 0.005284377 0.005650134 0.005836202 0.007341572 0.008227905 0.009157284 0.010996996 0.011337642 0.016289630 0.017985175 0.018538214 0.021101936 0.023292388 0.027362382 0.029282145 0.030835959 0.031807202 0.033539523 0.037096310 0.039536381 0.044874481 0.046509731 0.047629168 0.048591150 0.050194137 0.050755672 0.051337796 0.052624056 0.052667550 0.054660118 0.056799644 0.057729601 0.059190515 0.065411733 0.066272479 0.066796265 0.071618641 0.076287024 0.077022604 0.077274922 0.079975728 0.081604955 0.083990943 0.087381927 0.090641227 0.092845527 0.093925264 0.100036198 0.101890308 0.110475035 0.112824023 0.113333664 0.114631960 0.119173187 0.126744627 0.128542248 0.136427505 0.140119272 0.145377227 0.150682216 0.153197919 0.153611764 0.157394416 0.170460191 0.178793089 0.184468874 0.187372131 0.193842818 0.201179967 0.213270339 0.217407766 0.224314659 0.235984822 0.242594870 0.261599512 0.270358988 0.297175231 0.313510114 0.340652794 0.400982178 0.415409373 0.460062052 0.521044480 0.543589693 0.565378145 0.597360242 0.633470337 0.671430565 0.675131464 0.740256202 0.752669034 0.757081036 0.762473221 0.773231292 0.781297063 0.785045493 0.789369056 0.801238084 0.810903520 0.816243481 0.820242198 0.825642560 0.830714917 0.849908611 0.853268960 0.861018266 0.868018956 0.892591039 0.895600444 0.912891437 0.917838204 0.920236560 0.920597088 0.936636671 0.976602699 0.991384448 1.376746270 1.484316636</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">64</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82529858" y3="-1.30000887" z3="1.74904169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84790703" y3="-1.7076142" z3="1.84778684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.187687" y3="-2.09457812" z3="1.31931028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.86867947" y3="-0.47093642" z3="1.01721559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30156644" y3="-0.82185699" z3="3.10131286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26309753" y3="-0.45305318" z3="2.98400253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26649247" y3="-1.66786392" z3="3.80795858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16046151" y3="0.27610898" z3="3.72962181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18717166" y3="-0.10992553" z3="3.85732877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2188551" y3="1.13814912" z3="3.03494572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.65359168" y3="0.74833189" z3="5.08779165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20899743" y3="1.6485541" z3="5.42496933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59221081" y3="1.05610298" z3="5.01951726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82047271" y3="-0.28287873" z3="6.20859034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.30042189" y3="-0.90410778" z3="8.59641083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26948249" y3="-1.43182683" z3="8.65665863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.15507143" y3="-0.39371872" z3="9.57197839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21325608" y3="-1.98075262" z3="8.42977956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.41870281" y3="-2.5197793" z3="7.48588267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30675936" y3="-2.72129407" z3="9.24964328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20860325" y3="-1.42243366" z3="8.39783192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.43233902" y3="-0.92625592" z3="9.36511966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.25059199" y3="-0.63084733" z3="7.6285374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.3000078" y3="-2.45466224" z3="8.09766832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.27224273" y3="-1.9337439" z3="8.00160287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09778592" y3="-2.91205135" z3="7.11026653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43389534" y3="-3.56013924" z3="9.14508829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6027915" y3="-3.13242326" z3="10.15075095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52290989" y3="-4.18026464" z3="9.19826219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28169471" y3="-4.23107719" z3="8.91723174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4621974" y3="-1.33506628" z3="5.98787388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.36626181" y3="0.11379975" z3="7.48763179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65847866" y3="0.95049425" z3="7.52427261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.70096616" y3="1.23041173" z3="6.11645851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.9332816" y3="1.95142527" z3="5.79808758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.69772732" y3="1.61998791" z3="5.85869939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.54396003" y3="0.2946794" z3="5.56151275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.57237497" y3="0.99572676" z3="7.61906106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74911147" y3="1.95042869" z3="8.15244355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36830565" y3="0.29890134" z3="7.94780446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2141089" y3="0.41242176" z3="8.02915623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.97552856" y3="-0.4399266" z3="7.3575034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.28109747" y3="-0.00655386" z3="9.05609884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07601344" y3="1.44581584" z3="8.010058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10542866" y3="2.43574944" z3="7.26442362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54580537" y3="1.52900776" z3="8.99469609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8253,-1.3,1.749;-3.8479,-1.7076,1.8478;-2.1877,-2.0946,1.3193;-2.8687,-.4709,1.0172;-2.3016,-.8219,3.1013;-1.2631,-.4531,2.984;-2.2665,-1.6679,3.808;-3.1605,.2761,3.7296;-4.1872,-.1099,3.8573;-3.2189,1.1381,3.0349;-2.6536,.7483,5.0878;-3.209,1.6486,5.425;-1.5922,1.0561,5.0195;-2.8205,-.2829,6.2086;-2.3004,-.9041,8.5964;-3.2695,-1.4318,8.6567;-2.1551,-.3937,9.572;-1.2133,-1.9808,8.4298;-1.4187,-2.5198,7.4859;-1.3068,-2.7213,9.2496;.2086,-1.4224,8.3978;.4323,-.9263,9.3651;.2506,-.6308,7.6285;1.3,-2.4547,8.0977;2.2722,-1.9337,8.0016;1.0978,-2.9121,7.1103;1.4339,-3.5601,9.1451;1.6028,-3.1324,10.1508;.5229,-4.1803,9.1983;2.2817,-4.2311,8.9172;-3.4622,-1.3351,5.9879;-2.3663,.1138,7.4876;-1.6585,.9505,7.5243;-6.701,1.2304,6.1165;-5.9333,1.9514,5.7981;-7.6977,1.62,5.8587;-6.544,.2947,5.5615;-6.5724,.9957,7.6191;-6.7491,1.9504,8.1524;-7.3683,.2989,7.9478;-5.2141,.4124,8.0292;-4.9755,-.4399,7.3575;-5.2811,-.0066,9.0561;-4.076,1.4458,8.0101;-4.1054,2.4357,7.2644;-3.5458,1.529,8.9947;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723449105239</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010082607660 0.001380153965 0.047910821722 0.008512234644</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029586144 -0.006018957 0.000104750 0.000156368 0.000345198 0.000388072 0.000660792 0.001074968 0.001206155 0.002085155 0.002633464 0.002939599 0.003709991 0.004437566 0.005280965 0.005655477 0.005843497 0.007351856 0.008251986 0.009157429 0.011122970 0.011388003 0.016292862 0.018102299 0.018899757 0.021194481 0.023602071 0.027362275 0.029791663 0.031800198 0.032519049 0.033555055 0.037141607 0.039536421 0.044875965 0.046513426 0.047644658 0.048663083 0.050196932 0.050755856 0.051978206 0.052629548 0.052839854 0.054653951 0.056802188 0.057754934 0.059190915 0.065525921 0.066287910 0.069064771 0.071645634 0.076287606 0.077022063 0.077274041 0.080006562 0.081604954 0.084861191 0.088035089 0.090735399 0.092863792 0.093926659 0.100060656 0.102070715 0.110484285 0.112824413 0.113336224 0.114655041 0.119173212 0.127479548 0.128851185 0.136429024 0.140120289 0.145402290 0.151405806 0.153330300 0.153616805 0.157428373 0.170471761 0.178801731 0.184474186 0.188537004 0.193863510 0.201555253 0.213267958 0.217427106 0.224401199 0.236382859 0.242879995 0.261601554 0.270857008 0.297181793 0.313595315 0.340652819 0.401332425 0.416593340 0.460063398 0.521108041 0.546304349 0.565389621 0.597366096 0.633475628 0.671537462 0.675132216 0.740255773 0.752671448 0.757081633 0.762475772 0.773235616 0.781296566 0.785045624 0.789369221 0.801237808 0.810906526 0.816237289 0.820242724 0.825644221 0.831183548 0.849958181 0.853280099 0.866886725 0.868023520 0.892599860 0.895651675 0.912928764 0.917863514 0.920236771 0.920993659 0.936990215 0.976606084 0.991869281 1.376749744 1.484331237</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">65</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83057442" y3="-1.29771988" z3="1.75583243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.85293311" y3="-1.70583421" z3="1.85577914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.19280005" y3="-2.09232342" z3="1.32619829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.875067" y3="-0.4692158" z3="1.02339975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30610264" y3="-0.81826758" z3="3.10739621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26778409" y3="-0.44923827" z3="2.98928745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27041743" y3="-1.66374072" z3="3.81462658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16515346" y3="0.27981095" z3="3.73536151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19180255" y3="-0.10626962" z3="3.8630654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22361647" y3="1.14175988" z3="3.04057655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.65856847" y3="0.75212001" z3="5.0935231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21463306" y3="1.65159838" z3="5.43168358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59749658" y3="1.06117752" z3="5.02515978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82346268" y3="-0.27992342" z3="6.21363652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29889592" y3="-0.90187525" z3="8.60084443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26752821" y3="-1.42886381" z3="8.66416383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.15087369" y3="-0.39133517" z3="9.57537058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21366847" y3="-1.97988196" z3="8.43233207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42281088" y3="-2.52057633" z3="7.49069067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30523869" y3="-2.71858574" z3="9.25413799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20864773" y3="-1.42385575" z3="8.39399517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.4368625" y3="-0.92706402" z3="9.35958397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24860688" y3="-0.63326975" z3="7.62355343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.29763062" y3="-2.45758261" z3="8.0906818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.26944416" y3="-1.93761867" z3="7.99039744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.09151465" y3="-2.91560203" z3="7.10477616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43536457" y3="-3.5622143" z3="9.13848379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.60669821" y3="-3.13384275" z3="10.14321129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52528027" y3="-4.18305529" z3="9.19466753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28301887" y3="-4.23272581" z3="8.90906979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46205722" y3="-1.33284551" z3="5.99320327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.3685926" y3="0.11646746" z3="7.4925734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.65998014" y3="0.95261547" z3="7.52780568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.68228553" y3="1.21717459" z3="6.10072948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.91340015" y3="1.93724618" z3="5.7803844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.68532335" y3="1.60521703" z3="5.81078857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.50618916" y3="0.26371464" z3="5.55736086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5711971" y3="0.99844118" z3="7.61383448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74893831" y3="1.95745452" z3="8.13613649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37101074" y3="0.30438553" z3="7.94044056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21834677" y3="0.41486751" z3="8.03842906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.98343854" y3="-0.43178137" z3="7.37382581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.28727728" y3="-0.0007976" z3="9.05417853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07618551" y3="1.4465891" z3="8.01853504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10599275" y3="2.43882524" z3="7.27511259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54739427" y3="1.52689763" z3="9.00306381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8306,-1.2977,1.7558;-3.8529,-1.7058,1.8558;-2.1928,-2.0923,1.3262;-2.8751,-.4692,1.0234;-2.3061,-.8183,3.1074;-1.2678,-.4492,2.9893;-2.2704,-1.6637,3.8146;-3.1652,.2798,3.7354;-4.1918,-.1063,3.8631;-3.2236,1.1418,3.0406;-2.6586,.7521,5.0935;-3.2146,1.6516,5.4317;-1.5975,1.0612,5.0252;-2.8235,-.2799,6.2136;-2.2989,-.9019,8.6008;-3.2675,-1.4289,8.6642;-2.1509,-.3913,9.5754;-1.2137,-1.9799,8.4323;-1.4228,-2.5206,7.4907;-1.3052,-2.7186,9.2541;.2086,-1.4239,8.394;.4369,-.9271,9.3596;.2486,-.6333,7.6236;1.2976,-2.4576,8.0907;2.2694,-1.9376,7.9904;1.0915,-2.9156,7.1048;1.4354,-3.5622,9.1385;1.6067,-3.1338,10.1432;.5253,-4.1831,9.1947;2.283,-4.2327,8.9091;-3.4621,-1.3328,5.9932;-2.3686,.1165,7.4926;-1.66,.9526,7.5278;-6.6823,1.2172,6.1007;-5.9134,1.9372,5.7804;-7.6853,1.6052,5.8108;-6.5062,.2637,5.5574;-6.5712,.9984,7.6138;-6.7489,1.9575,8.1361;-7.371,.3044,7.9404;-5.2183,.4149,8.0384;-4.9834,-.4318,7.3738;-5.2873,-.0008,9.0542;-4.0762,1.4466,8.0185;-4.106,2.4388,7.2751;-3.5474,1.5269,9.0031;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723437181618</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012926661672 0.001716713958 0.029064945706 0.008512647448</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029827602 -0.006975751 0.000110573 0.000157865 0.000345160 0.000386402 0.000660762 0.001079674 0.001223945 0.002085654 0.002633414 0.002942205 0.003775831 0.004438202 0.005363417 0.005655866 0.005845418 0.007351196 0.008261155 0.009245763 0.011145799 0.011408083 0.016299135 0.018125035 0.019274569 0.021223752 0.023860771 0.027363080 0.029906614 0.031801391 0.033516495 0.034798463 0.037268314 0.039537158 0.044896125 0.046518434 0.047661281 0.048729293 0.050198858 0.050755723 0.052335703 0.052634171 0.053197418 0.054692926 0.056926897 0.057807097 0.059192731 0.065554508 0.066290446 0.071609163 0.072910560 0.076288070 0.077033223 0.077332422 0.080142695 0.081606789 0.085045317 0.088950163 0.091415788 0.093446823 0.095086831 0.100077090 0.103049765 0.110512282 0.112827078 0.113348008 0.114744316 0.119173557 0.127666916 0.129054265 0.136432872 0.140124997 0.145594280 0.152116277 0.153499311 0.153746392 0.157634625 0.170470520 0.178804436 0.184477528 0.189345666 0.193978700 0.202284437 0.213266163 0.217481768 0.224601121 0.236960582 0.243594822 0.261604763 0.271682230 0.297185221 0.313720028 0.340666627 0.402238729 0.418394510 0.460092827 0.521247249 0.550960838 0.565399169 0.597369136 0.633475603 0.671719385 0.675132622 0.740256679 0.752676232 0.757081900 0.762591605 0.773239221 0.781303768 0.785046039 0.789371439 0.801247000 0.810908195 0.816446051 0.820242847 0.825644482 0.831177773 0.849999925 0.853288863 0.868017396 0.879034052 0.892638325 0.895856217 0.913013597 0.917906592 0.920236685 0.922333757 0.937183905 0.976650935 0.992144684 1.376810863 1.484379414</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">66</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83587327" y3="-1.29541207" z3="1.76130796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8577818" y3="-1.70416841" z3="1.86217965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.19785778" y3="-2.08985654" z3="1.33190426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.88134823" y3="-0.46748574" z3="1.02832881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.31085477" y3="-0.81483891" z3="3.11220147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.27289125" y3="-0.4451994" z3="2.99321856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27400563" y3="-1.65998739" z3="3.81973591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17001368" y3="0.28302025" z3="3.74050892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19688666" y3="-0.10266861" z3="3.86783275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22844004" y3="1.14526239" z3="3.04610802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6628141" y3="0.75458954" z3="5.09879619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21914099" y3="1.65327088" z3="5.43933008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60213771" y3="1.06484898" z3="5.03007701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82657284" y3="-0.27791462" z3="6.21829632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29977971" y3="-0.89988862" z3="8.60531797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26876572" y3="-1.42643374" z3="8.67289851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.1469582" y3="-0.38988308" z3="9.57977695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21494486" y3="-1.97783111" z3="8.43216632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.42724942" y3="-2.51850286" z3="7.49135334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30364802" y3="-2.71634588" z3="9.25431326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20732902" y3="-1.42314024" z3="8.38969955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.43848034" y3="-0.92604251" z3="9.35406868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2462394" y3="-0.63318559" z3="7.61861971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.2945519" y3="-2.45799631" z3="8.08460844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.26633333" y3="-1.93881301" z3="7.98077184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.08509909" y3="-2.91679638" z3="7.09985328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43525825" y3="-3.5619426" z3="9.13278266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61342242" y3="-3.13223752" z3="10.13690243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52294939" y3="-4.18102799" z3="9.19442765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.28097164" y3="-4.2351628" z3="8.89876675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46482115" y3="-1.33167586" z3="5.99786449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37475756" y3="0.1205604" z3="7.49896048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66444072" y3="0.95520942" z3="7.53265369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.66295135" y3="1.20452047" z3="6.08556008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.88662564" y3="1.91783605" z3="5.7642936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.6562584" y3="1.59154464" z3="5.79232354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.48764759" y3="0.25558326" z3="5.55080825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.56753543" y3="0.99679398" z3="7.5942423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74934199" y3="1.96099593" z3="8.10802001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37441137" y3="0.31058756" z3="7.9233316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21837744" y3="0.41545791" z3="8.04198429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.971695" y3="-0.45655698" z3="7.39182953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.30720957" y3="0.01829277" z3="9.07969815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0720378" y3="1.44214646" z3="8.02446315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10173509" y3="2.43670647" z3="7.28324991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5467928" y3="1.52422361" z3="9.01245192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8359,-1.2954,1.7613;-3.8578,-1.7042,1.8622;-2.1979,-2.0899,1.3319;-2.8813,-.4675,1.0283;-2.3109,-.8148,3.1122;-1.2729,-.4452,2.9932;-2.274,-1.66,3.8197;-3.17,.283,3.7405;-4.1969,-.1027,3.8678;-3.2284,1.1453,3.0461;-2.6628,.7546,5.0988;-3.2191,1.6533,5.4393;-1.6021,1.0648,5.0301;-2.8266,-.2779,6.2183;-2.2998,-.8999,8.6053;-3.2688,-1.4264,8.6729;-2.147,-.3899,9.5798;-1.2149,-1.9778,8.4322;-1.4272,-2.5185,7.4914;-1.3036,-2.7163,9.2543;.2073,-1.4231,8.3897;.4385,-.926,9.3541;.2462,-.6332,7.6186;1.2946,-2.458,8.0846;2.2663,-1.9388,7.9808;1.0851,-2.9168,7.0999;1.4353,-3.5619,9.1328;1.6134,-3.1322,10.1369;.5229,-4.181,9.1944;2.281,-4.2352,8.8988;-3.4648,-1.3317,5.9979;-2.3748,.1206,7.499;-1.6644,.9552,7.5327;-6.663,1.2045,6.0856;-5.8866,1.9178,5.7643;-7.6563,1.5915,5.7923;-6.4876,.2556,5.5508;-6.5675,.9968,7.5942;-6.7493,1.961,8.108;-7.3744,.3106,7.9233;-5.2184,.4155,8.042;-4.9717,-.4566,7.3918;-5.3072,.0183,9.0797;-4.072,1.4421,8.0245;-4.1017,2.4367,7.2832;-3.5468,1.5242,9.0125;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723513361347</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010335911406 0.001556325694 0.030337949718 0.008512250545</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029945127 -0.005249770 0.000113665 0.000157976 0.000345129 0.000385484 0.000660656 0.001079313 0.001311620 0.002151154 0.002643831 0.002942145 0.003893010 0.004606157 0.005448529 0.005721801 0.005847393 0.007387251 0.008370941 0.009305966 0.011147554 0.011470024 0.016355641 0.018125148 0.019505963 0.021259793 0.023993947 0.027362959 0.029933336 0.031802902 0.033524553 0.035665501 0.037388992 0.039537997 0.044968870 0.046527419 0.047657053 0.048774691 0.050199184 0.050756670 0.052459124 0.052641615 0.053683215 0.054907646 0.057123046 0.057843094 0.059193207 0.065557313 0.066291372 0.071670734 0.073526483 0.076287885 0.077043881 0.077477569 0.080290801 0.081608357 0.085086422 0.088941067 0.091536393 0.093519841 0.097134210 0.100082011 0.105717159 0.110587293 0.112833380 0.113366215 0.114779290 0.119174117 0.127654484 0.129039561 0.136437094 0.140145508 0.145781461 0.152079221 0.153620290 0.155064930 0.157874620 0.170496750 0.178811672 0.184482501 0.190128675 0.194192735 0.202915448 0.213263270 0.217513789 0.224670051 0.237522974 0.244789555 0.261604732 0.271632358 0.297189273 0.313773088 0.340697083 0.402697662 0.418813642 0.460139244 0.521327442 0.553475943 0.565399669 0.597410793 0.633475736 0.673019097 0.675159752 0.740257895 0.752689750 0.757085048 0.762903173 0.773243461 0.781303292 0.785046254 0.789372465 0.801278145 0.810914987 0.817655443 0.820281404 0.825654145 0.832116019 0.850016064 0.853293275 0.868017510 0.890091491 0.892884216 0.896828024 0.913165074 0.917910593 0.920236635 0.923316938 0.937449044 0.976691902 0.992351190 1.376810285 1.484423574</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">67</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84292713" y3="-1.29247994" z3="1.76931975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8646502" y3="-1.70147781" z3="1.87139795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.20502628" y3="-2.08718656" z3="1.34029235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.88916763" y3="-0.46533077" z3="1.03552127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.31699706" y3="-0.81055624" z3="3.11930784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.27922359" y3="-0.44073803" z3="2.99922094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27946104" y3="-1.65509538" z3="3.82750261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1757913" y3="0.28761601" z3="3.74748471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20280612" y3="-0.09765227" z3="3.87481388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23392097" y3="1.14985725" z3="3.05306754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66817672" y3="0.75901947" z3="5.10556552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22418015" y3="1.65752234" z3="5.44704402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60766933" y3="1.06969282" z3="5.03618255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.82984779" y3="-0.27403649" z3="6.22481377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29823662" y3="-0.89481091" z3="8.61189712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26823831" y3="-1.41983469" z3="8.68545403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.14000271" y3="-0.38351058" z3="9.58499922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21644357" y3="-1.97564838" z3="8.43496244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43436283" y3="-2.51730024" z3="7.49531695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30345272" y3="-2.71313716" z3="9.25826963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20759711" y3="-1.42389557" z3="8.38573701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.44429997" y3="-0.92535186" z3="9.34873988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24520222" y3="-0.63531757" z3="7.61307766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.29144863" y3="-2.4620896" z3="8.07740374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.26458315" y3="-1.94526511" z3="7.96756477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.07585356" y3="-2.92300589" z3="7.09431575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43448242" y3="-3.56414823" z3="9.12737292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61756931" y3="-3.13333715" z3="10.12954058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52208177" y3="-4.1815945" z3="9.19404567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.27766537" y3="-4.23868559" z3="8.89108902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46592731" y3="-1.32850598" z3="6.00500896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37590665" y3="0.12476903" z3="7.50467586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66582185" y3="0.95966513" z3="7.53695578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.64213694" y3="1.18693705" z3="6.06714611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.86807297" y3="1.90249461" z3="5.75356574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.63347712" y3="1.56598266" z3="5.76198559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.46025357" y3="0.2327226" z3="5.54272507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.56041943" y3="0.99376621" z3="7.58264896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74674427" y3="1.96065353" z3="8.08642482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36925254" y3="0.3091776" z3="7.90054801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.21867157" y3="0.41611236" z3="8.04662984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.97690634" y3="-0.44566603" z3="7.40374467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.30937137" y3="0.02294239" z3="9.07007701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07111657" y3="1.44369105" z3="8.03075426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10044885" y3="2.44143396" z3="7.29349315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54964288" y3="1.52205866" z3="9.02018333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8429,-1.2925,1.7693;-3.8647,-1.7015,1.8714;-2.205,-2.0872,1.3403;-2.8892,-.4653,1.0355;-2.317,-.8106,3.1193;-1.2792,-.4407,2.9992;-2.2795,-1.6551,3.8275;-3.1758,.2876,3.7475;-4.2028,-.0977,3.8748;-3.2339,1.1499,3.0531;-2.6682,.759,5.1056;-3.2242,1.6575,5.447;-1.6077,1.0697,5.0362;-2.8298,-.274,6.2248;-2.2982,-.8948,8.6119;-3.2682,-1.4198,8.6855;-2.14,-.3835,9.585;-1.2164,-1.9756,8.435;-1.4344,-2.5173,7.4953;-1.3035,-2.7131,9.2583;.2076,-1.4239,8.3857;.4443,-.9254,9.3487;.2452,-.6353,7.6131;1.2914,-2.4621,8.0774;2.2646,-1.9453,7.9676;1.0759,-2.923,7.0943;1.4345,-3.5641,9.1274;1.6176,-3.1333,10.1295;.5221,-4.1816,9.194;2.2777,-4.2387,8.8911;-3.4659,-1.3285,6.005;-2.3759,.1248,7.5047;-1.6658,.9597,7.537;-6.6421,1.1869,6.0671;-5.8681,1.9025,5.7536;-7.6335,1.566,5.762;-6.4603,.2327,5.5427;-6.5604,.9938,7.5826;-6.7467,1.9607,8.0864;-7.3693,.3092,7.9005;-5.2187,.4161,8.0466;-4.9769,-.4457,7.4037;-5.3094,.0229,9.0701;-4.0711,1.4437,8.0308;-4.1004,2.4414,7.2935;-3.5496,1.5221,9.0202;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723572390048</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006157908724 0.001272899223 0.038109963814 0.008512509304</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029900130 -0.004927289 0.000138833 0.000158813 0.000345699 0.000477330 0.000660589 0.001086393 0.001347368 0.002250371 0.002710885 0.002950709 0.003915852 0.004829555 0.005451536 0.005822137 0.005904412 0.007415077 0.008511169 0.009303032 0.011168527 0.011988537 0.016471461 0.018128449 0.019634082 0.021348940 0.024081247 0.027363253 0.029946791 0.031803071 0.033528615 0.035866946 0.037430582 0.039538013 0.045077729 0.046541864 0.047680148 0.048792629 0.050199134 0.050758560 0.052472446 0.052642631 0.054064806 0.055277121 0.057152397 0.057853702 0.059194208 0.065564958 0.066292554 0.071823204 0.073497230 0.076288010 0.077056388 0.077708743 0.080587882 0.081614256 0.085638179 0.089215222 0.091532378 0.093518209 0.097439536 0.100082704 0.108327948 0.110879078 0.112847130 0.113398379 0.114793570 0.119174157 0.127809473 0.129369773 0.136442037 0.140166893 0.145881264 0.152350163 0.153660565 0.157156162 0.158439243 0.170538052 0.178828905 0.184484408 0.190671941 0.194293915 0.203210242 0.213272320 0.217529595 0.224671949 0.237888318 0.245687780 0.261614398 0.272612211 0.297191248 0.313783464 0.340707636 0.402705326 0.418802867 0.460138106 0.521333541 0.553676944 0.565403720 0.597425999 0.633485728 0.674037830 0.675309241 0.740272737 0.752689679 0.757087453 0.763237882 0.773250673 0.781320704 0.785046673 0.789372614 0.801280245 0.810928808 0.818952334 0.820473479 0.825672311 0.835256167 0.850017694 0.853293453 0.868017504 0.892146527 0.893806256 0.898698637 0.913303906 0.917914358 0.920236735 0.923418410 0.939392777 0.976713527 0.992697385 1.376840701 1.484441245</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">68</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84947169" y3="-1.28835238" z3="1.77348243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87111634" y3="-1.69734177" z3="1.87665869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.21186292" y3="-2.08311483" z3="1.34389716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.89651948" y3="-0.46124081" z3="1.0396804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32221674" y3="-0.80631926" z3="3.12299966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.28450386" y3="-0.43650478" z3="3.00197265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.283992" y3="-1.65089022" z3="3.83116187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18045408" y3="0.29185391" z3="3.75212621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20754116" y3="-0.09308456" z3="3.87995782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23885922" y3="1.15450244" z3="3.05823894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67144333" y3="0.7622306" z3="5.11006187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22688048" y3="1.66063911" z3="5.45309816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6109034" y3="1.07284136" z3="5.03987063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83210335" y3="-0.27144614" z3="6.22867224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29658711" y3="-0.89349656" z3="8.61486771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26611359" y3="-1.41736145" z3="8.68983242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.13643751" y3="-0.3829303" z3="9.58719335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21625692" y3="-1.97501203" z3="8.43567918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.43631626" y3="-2.51611805" z3="7.49698467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30195945" y3="-2.71254766" z3="9.25906309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20789345" y3="-1.42513304" z3="8.38294827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.44711982" y3="-0.92676655" z3="9.3448486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2445364" y3="-0.63685695" z3="7.61003255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.28992112" y3="-2.46422292" z3="8.07296683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.26227998" y3="-1.94818678" z3="7.96132427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.0727943" y3="-2.92495739" z3="7.09103016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43478512" y3="-3.56587056" z3="9.12304342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61628212" y3="-3.13533275" z3="10.12428667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52474326" y3="-4.18467259" z3="9.18959397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.27851756" y3="-4.23856663" z3="8.88825665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46969702" y3="-1.32538868" z3="6.00950294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37630024" y3="0.12670645" z3="7.50837796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66550741" y3="0.96119232" z3="7.53964035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.62478404" y3="1.17248113" z3="6.05339556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.84954671" y3="1.88752182" z3="5.73494005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.61941101" y3="1.54721444" z3="5.72387563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.43130597" y3="0.20861862" z3="5.5421653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.55790842" y3="0.99559447" z3="7.56948624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74676762" y3="1.97270543" z3="8.06004709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37117601" y3="0.31476889" z3="7.89521864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22088562" y3="0.4184222" z3="8.05334012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9670783" y3="-0.46360202" z3="7.42556902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.33116281" y3="0.04370201" z3="9.09556711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07058892" y3="1.44274866" z3="8.03686298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10191434" y3="2.44153125" z3="7.30025982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5472686" y3="1.52049877" z3="9.0258089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8495,-1.2884,1.7735;-3.8711,-1.6973,1.8767;-2.2119,-2.0831,1.3439;-2.8965,-.4612,1.0397;-2.3222,-.8063,3.123;-1.2845,-.4365,3.002;-2.284,-1.6509,3.8312;-3.1805,.2919,3.7521;-4.2075,-.0931,3.88;-3.2389,1.1545,3.0582;-2.6714,.7622,5.1101;-3.2269,1.6606,5.4531;-1.6109,1.0728,5.0399;-2.8321,-.2714,6.2287;-2.2966,-.8935,8.6149;-3.2661,-1.4174,8.6898;-2.1364,-.3829,9.5872;-1.2163,-1.975,8.4357;-1.4363,-2.5161,7.497;-1.302,-2.7125,9.2591;.2079,-1.4251,8.3829;.4471,-.9268,9.3448;.2445,-.6369,7.61;1.2899,-2.4642,8.073;2.2623,-1.9482,7.9613;1.0728,-2.925,7.091;1.4348,-3.5659,9.123;1.6163,-3.1353,10.1243;.5247,-4.1847,9.1896;2.2785,-4.2386,8.8883;-3.4697,-1.3254,6.0095;-2.3763,.1267,7.5084;-1.6655,.9612,7.5396;-6.6248,1.1725,6.0534;-5.8495,1.8875,5.7349;-7.6194,1.5472,5.7239;-6.4313,.2086,5.5422;-6.5579,.9956,7.5695;-6.7468,1.9727,8.06;-7.3712,.3148,7.8952;-5.2209,.4184,8.0533;-4.9671,-.4636,7.4256;-5.3312,.0437,9.0956;-4.0706,1.4427,8.0369;-4.1019,2.4415,7.3003;-3.5473,1.5205,9.0258;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723609213537</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008992489196 0.001395937759 0.032998031591 0.008512277686</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029868031 -0.004408891 0.000138798 0.000163863 0.000346049 0.000498949 0.000661369 0.001149058 0.001349371 0.002301707 0.002765155 0.002981336 0.003933752 0.004872865 0.005495381 0.005821092 0.005928023 0.007416860 0.008513937 0.009470879 0.011198398 0.012544231 0.016537200 0.018134314 0.019719954 0.021404522 0.024129440 0.027364992 0.029954185 0.031803082 0.033527776 0.035904510 0.037428955 0.039537994 0.045106615 0.046543329 0.047690061 0.048792182 0.050199073 0.050758489 0.052472554 0.052642077 0.054282769 0.055677780 0.057145185 0.057853210 0.059196398 0.065573999 0.066293168 0.071922601 0.073584900 0.076288108 0.077064498 0.077838089 0.080881496 0.081622114 0.086064808 0.090173255 0.091609950 0.093573549 0.097549165 0.100088220 0.109225122 0.111325370 0.112863466 0.113421186 0.114808013 0.119174187 0.127950744 0.129937063 0.136444816 0.140170645 0.145912433 0.152521372 0.153686185 0.157707246 0.159640235 0.170553402 0.178831236 0.184485078 0.191974420 0.194381903 0.203320397 0.213352121 0.217535772 0.224665298 0.238456424 0.246943182 0.261650848 0.275163304 0.297196704 0.313788406 0.340707357 0.402909453 0.419006874 0.460254224 0.521352277 0.553771505 0.565403716 0.597443149 0.633502890 0.674216982 0.675437863 0.740297903 0.752728102 0.757087496 0.763275706 0.773307445 0.781379271 0.785050594 0.789377361 0.801300478 0.810941095 0.819202238 0.820592643 0.825678576 0.839015315 0.850017678 0.853293422 0.868019134 0.892370693 0.894422551 0.900295945 0.913366081 0.917935092 0.920236628 0.923589957 0.944653450 0.976726263 0.992889645 1.376933948 1.484449665</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">69</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85695214" y3="-1.28427363" z3="1.77857915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87840448" y3="-1.69332378" z3="1.88283928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.21980889" y3="-2.07901251" z3="1.34844353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.90478146" y3="-0.45727855" z3="1.04472238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32833873" y3="-0.80215235" z3="3.12744481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.29074861" y3="-0.43245338" z3="3.00536918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28949493" y3="-1.64663675" z3="3.83564094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18570015" y3="0.29613293" z3="3.75741551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21285311" y3="-0.08829508" z3="3.88582015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24431412" y3="1.15897825" z3="3.06376542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67525678" y3="0.7658251" z3="5.11500603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22969368" y3="1.66441156" z3="5.45867105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61470237" y3="1.0759138" z3="5.04356356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83478757" y3="-0.26841092" z3="6.23366826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2945035" y3="-0.89048986" z3="8.61881339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26558032" y3="-1.41246159" z3="8.69906445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.12868676" y3="-0.37894578" z3="9.59057073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21666449" y3="-1.97402076" z3="8.43660007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44040818" y3="-2.5149124" z3="7.49838854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30135257" y3="-2.71103009" z3="9.26057854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20790336" y3="-1.42582279" z3="8.38012167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.44993784" y3="-0.92706511" z3="9.34112922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24349589" y3="-0.63820382" z3="7.60643938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.28771301" y3="-2.46667383" z3="8.06822268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.26100398" y3="-1.95225841" z3="7.95256351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.06617414" y3="-2.92853575" z3="7.08722205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43410745" y3="-3.56707756" z3="9.11935447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.628237" y3="-3.13357101" z3="10.12020897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51743344" y3="-4.18022991" z3="9.19519827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.27310182" y3="-4.24738763" z3="8.87687439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47292579" y3="-1.32240287" z3="6.01497995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37596711" y3="0.12858183" z3="7.51174723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66768089" y3="0.96496408" z3="7.54279038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.6037837" y3="1.15385935" z3="6.03497358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.82184456" y3="1.8616017" z3="5.71698974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.58641298" y3="1.52729078" z3="5.70428448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.40748587" y3="0.19128749" z3="5.53465722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.55620653" y3="0.9921338" z3="7.55617642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74783291" y3="1.96785475" z3="8.03662188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37401359" y3="0.31668333" z3="7.87656148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22419468" y3="0.42111525" z3="8.0625806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.96877093" y3="-0.46137179" z3="7.4462589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.33792841" y3="0.05576978" z3="9.09658437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07403483" y3="1.44640069" z3="8.04602944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10345233" y3="2.44532553" z3="7.31107643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54750878" y3="1.52062412" z3="9.03327654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.857,-1.2843,1.7786;-3.8784,-1.6933,1.8828;-2.2198,-2.079,1.3484;-2.9048,-.4573,1.0447;-2.3283,-.8022,3.1274;-1.2907,-.4325,3.0054;-2.2895,-1.6466,3.8356;-3.1857,.2961,3.7574;-4.2129,-.0883,3.8858;-3.2443,1.159,3.0638;-2.6753,.7658,5.115;-3.2297,1.6644,5.4587;-1.6147,1.0759,5.0436;-2.8348,-.2684,6.2337;-2.2945,-.8905,8.6188;-3.2656,-1.4125,8.6991;-2.1287,-.3789,9.5906;-1.2167,-1.974,8.4366;-1.4404,-2.5149,7.4984;-1.3014,-2.711,9.2606;.2079,-1.4258,8.3801;.4499,-.9271,9.3411;.2435,-.6382,7.6064;1.2877,-2.4667,8.0682;2.261,-1.9523,7.9526;1.0662,-2.9285,7.0872;1.4341,-3.5671,9.1194;1.6282,-3.1336,10.1202;.5174,-4.1802,9.1952;2.2731,-4.2474,8.8769;-3.4729,-1.3224,6.015;-2.376,.1286,7.5117;-1.6677,.965,7.5428;-6.6038,1.1539,6.035;-5.8218,1.8616,5.717;-7.5864,1.5273,5.7043;-6.4075,.1913,5.5347;-6.5562,.9921,7.5562;-6.7478,1.9679,8.0366;-7.374,.3167,7.8766;-5.2242,.4211,8.0626;-4.9688,-.4614,7.4463;-5.3379,.0558,9.0966;-4.074,1.4464,8.046;-4.1035,2.4453,7.3111;-3.5475,1.5206,9.0333;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723677121770</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009345630449 0.001239519871 0.035169391114 0.008511798981</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029866536 -0.003985431 0.000139709 0.000166211 0.000346376 0.000521554 0.000662319 0.001241287 0.001366382 0.002317414 0.002798136 0.003028028 0.004043816 0.004920286 0.005499212 0.005821327 0.005930956 0.007484487 0.008571069 0.009801949 0.011245330 0.012790822 0.016567320 0.018139046 0.019732003 0.021415276 0.024136190 0.027367180 0.029955841 0.031810675 0.033527639 0.035899133 0.037428003 0.039538301 0.045110862 0.046543283 0.047691352 0.048794794 0.050198958 0.050759123 0.052478746 0.052642241 0.054389093 0.055729953 0.057250195 0.057855713 0.059202031 0.065602667 0.066293650 0.071964349 0.073554567 0.076288092 0.077072869 0.077954519 0.081255972 0.081659166 0.086212456 0.090853974 0.091826698 0.093676221 0.098677481 0.100146120 0.109476882 0.111646461 0.112875660 0.113439538 0.114827803 0.119174302 0.127999169 0.130330992 0.136444818 0.140170404 0.145930276 0.152548143 0.153691017 0.157798003 0.160565063 0.170555957 0.178845744 0.184485492 0.192834785 0.194384154 0.203310267 0.213470620 0.217536602 0.224668607 0.238997351 0.248155343 0.261671001 0.275838668 0.297248100 0.313802920 0.340725375 0.403632940 0.419397548 0.460600328 0.521470056 0.554590684 0.565408741 0.597615701 0.633525096 0.674213959 0.675440009 0.740313771 0.752850422 0.757088401 0.763276360 0.773418704 0.781431810 0.785055505 0.789382512 0.801368068 0.810960670 0.819233207 0.820625918 0.825680661 0.841630403 0.850017504 0.853295165 0.868027454 0.892390821 0.894509457 0.900546510 0.913377719 0.917935538 0.920236416 0.923857395 0.951491820 0.976726723 0.993311396 1.376973298 1.484449602</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">70</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.86486392" y3="-1.27986467" z3="1.7828288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.88647428" y3="-1.6883896" z3="1.88786646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.22855882" y3="-2.07485764" z3="1.35183748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.91283039" y3="-0.45255932" z3="1.0493077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.33464635" y3="-0.79859258" z3="3.13136313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.29684583" y3="-0.42969045" z3="3.00836328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29585525" y3="-1.64331789" z3="3.83929748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19038036" y3="0.30034487" z3="3.76256505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21794768" y3="-0.0828878" z3="3.89123319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24840435" y3="1.16365949" z3="3.0694207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67788868" y3="0.76886162" z3="5.1198361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2299477" y3="1.66865339" z3="5.46418001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61686248" y3="1.07708464" z3="5.04674131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83660444" y3="-0.26558464" z3="6.23879752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2932237" y3="-0.8863174" z3="8.6237964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26536497" y3="-1.40574978" z3="8.70848134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.12298671" y3="-0.37402518" z3="9.59413964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21864151" y3="-1.97234409" z3="8.43777987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.44708969" y3="-2.51172039" z3="7.49941921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30196344" y3="-2.70994706" z3="9.26124235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20691706" y3="-1.4262538" z3="8.37678134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45257326" y3="-0.92673863" z3="9.3369408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.24152436" y3="-0.63922122" z3="7.60242278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.2841766" y3="-2.46919513" z3="8.06288968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.25802055" y3="-1.95645534" z3="7.9434105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05893243" y3="-2.93243609" z3="7.08334611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43146642" y3="-3.5681358" z3="9.1155405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62016031" y3="-3.13563518" z3="10.11381139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.52028664" y3="-4.18315235" z3="9.18930802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.27079816" y3="-4.24409572" z3="8.87784955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47602667" y3="-1.31925269" z3="6.02089465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37405475" y3="0.13095967" z3="7.51532387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66767433" y3="0.9688304" z3="7.54576743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.58396709" y3="1.13654887" z3="6.02419996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.80666168" y3="1.8488602" z3="5.71131203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.57306226" y3="1.49845717" z3="5.66911508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.37592953" y3="0.16375407" z3="5.53614648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.54702168" y3="0.98895146" z3="7.54223475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74579457" y3="1.97385065" z3="8.01026929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36701605" y3="0.31543925" z3="7.85767652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22224485" y3="0.42413222" z3="8.06495734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95945775" y3="-0.46819586" z3="7.46207879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.3536442" y3="0.07305442" z3="9.1099356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07259096" y3="1.4479566" z3="8.05345281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10166363" y3="2.44985378" z3="7.32322841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54463404" y3="1.51581974" z3="9.04049755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8649,-1.2799,1.7828;-3.8865,-1.6884,1.8879;-2.2286,-2.0749,1.3518;-2.9128,-.4526,1.0493;-2.3346,-.7986,3.1314;-1.2968,-.4297,3.0084;-2.2959,-1.6433,3.8393;-3.1904,.3003,3.7626;-4.2179,-.0829,3.8912;-3.2484,1.1637,3.0694;-2.6779,.7689,5.1198;-3.2299,1.6687,5.4642;-1.6169,1.0771,5.0467;-2.8366,-.2656,6.2388;-2.2932,-.8863,8.6238;-3.2654,-1.4057,8.7085;-2.123,-.374,9.5941;-1.2186,-1.9723,8.4378;-1.4471,-2.5117,7.4994;-1.302,-2.7099,9.2612;.2069,-1.4263,8.3768;.4526,-.9267,9.3369;.2415,-.6392,7.6024;1.2842,-2.4692,8.0629;2.258,-1.9565,7.9434;1.0589,-2.9324,7.0833;1.4315,-3.5681,9.1155;1.6202,-3.1356,10.1138;.5203,-4.1832,9.1893;2.2708,-4.2441,8.8778;-3.476,-1.3193,6.0209;-2.3741,.131,7.5153;-1.6677,.9688,7.5458;-6.584,1.1365,6.0242;-5.8067,1.8489,5.7113;-7.5731,1.4985,5.6691;-6.3759,.1638,5.5361;-6.547,.989,7.5422;-6.7458,1.9739,8.0103;-7.367,.3154,7.8577;-5.2222,.4241,8.065;-4.9595,-.4682,7.4621;-5.3536,.0731,9.1099;-4.0726,1.448,8.0535;-4.1017,2.4499,7.3232;-3.5446,1.5158,9.0405;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723735682793</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009921005632 0.001152697981 0.032891103324 0.008512067413</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029877402 -0.003228648 0.000140201 0.000166800 0.000347214 0.000518759 0.000662755 0.001267803 0.001399226 0.002325179 0.002797390 0.003027593 0.004119009 0.005110396 0.005503378 0.005824973 0.006027494 0.007656396 0.008678445 0.010255780 0.011391548 0.012812339 0.016566779 0.018139129 0.019764888 0.021418684 0.024137875 0.027366429 0.029956118 0.031818745 0.033528984 0.035903522 0.037427968 0.039538386 0.045109808 0.046543598 0.047694177 0.048806717 0.050199318 0.050765398 0.052492225 0.052642338 0.054422024 0.055729484 0.057378889 0.057856939 0.059202792 0.065631985 0.066293717 0.071965243 0.073786080 0.076288318 0.077074876 0.078012430 0.081459671 0.081766744 0.086253965 0.091057074 0.092114782 0.093775290 0.099712487 0.100573452 0.109532501 0.111707665 0.112876598 0.113438320 0.114902715 0.119174294 0.128029075 0.130771457 0.136444737 0.140172528 0.145969759 0.152557783 0.153690851 0.157794139 0.161208100 0.170583622 0.178921252 0.184487086 0.193380129 0.194383086 0.203372653 0.213555291 0.217537781 0.224688311 0.239325668 0.249324864 0.261692784 0.276174297 0.297349044 0.313833910 0.340759250 0.404372601 0.419787269 0.460914269 0.521614166 0.555110300 0.565452011 0.597977831 0.633528037 0.674212113 0.675442178 0.740314604 0.752980220 0.757088962 0.763304932 0.773487791 0.781449444 0.785059920 0.789385566 0.801463886 0.810973933 0.819239367 0.820635941 0.825681503 0.842809288 0.850017412 0.853295892 0.868049900 0.892396544 0.894529277 0.900561385 0.913377973 0.917938342 0.920236825 0.923955237 0.959534234 0.976742046 0.993474425 1.376978398 1.484450953</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">71</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.871706" y3="-1.27500283" z3="1.78527099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89347375" y3="-1.68299263" z3="1.89079371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.23625094" y3="-2.06988495" z3="1.35274517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.91991066" y3="-0.44686013" z3="1.05269155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.33988182" y3="-0.79550696" z3="3.13389283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.30183127" y3="-0.42750544" z3="3.01027571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30116551" y3="-1.64095599" z3="3.84097884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19409444" y3="0.30365866" z3="3.76678533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22190601" y3="-0.07855845" z3="3.89620761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25198914" y3="1.16750916" z3="3.07428998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6799367" y3="0.77090701" z3="5.12382302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22993204" y3="1.67170077" z3="5.46851569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61837867" y3="1.07704732" z3="5.0498498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.83910852" y3="-0.26343312" z3="6.24280003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29210994" y3="-0.88483982" z3="8.62678934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26372444" y3="-1.40321466" z3="8.71361361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.11922163" y3="-0.3733323" z3="9.59651089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.21954166" y3="-1.97155507" z3="8.43829703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45001083" y3="-2.51001738" z3="7.50068567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30179106" y3="-2.70942716" z3="9.26173428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20572513" y3="-1.42626689" z3="8.37396474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45331576" y3="-0.92680487" z3="9.33325862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23857094" y3="-0.63951566" z3="7.59930002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.28172505" y3="-2.46946618" z3="8.05828189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.25492158" y3="-1.95718426" z3="7.93761997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.05503825" y3="-2.93222147" z3="7.07942999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.43031894" y3="-3.56786507" z3="9.11105809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62610789" y3="-3.13287948" z3="10.10982511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51466232" y3="-4.18020783" z3="9.19030074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.26787701" y3="-4.24846771" z3="8.86926357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47813605" y3="-1.31738622" z3="6.0253769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37519929" y3="0.13258882" z3="7.51865897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.66959638" y3="0.97132267" z3="7.54893772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.56224057" y3="1.11676585" z3="6.00605268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.77682392" y3="1.82122813" z3="5.68674177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.54017116" y3="1.48270638" z3="5.64485559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.35367303" y3="0.14220119" z3="5.53237333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.54643927" y3="0.98963532" z3="7.5329277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74356822" y3="1.97949422" z3="7.98545585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.37231481" y3="0.32256557" z3="7.85629661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22792545" y3="0.42541159" z3="8.07850461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95967117" y3="-0.47295387" z3="7.48838243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.36557878" y3="0.08576189" z3="9.12050025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07563643" y3="1.44875044" z3="8.06307001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10575666" y3="2.45113112" z3="7.33318663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54353546" y3="1.51437652" z3="9.04771335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8717,-1.275,1.7853;-3.8935,-1.683,1.8908;-2.2363,-2.0699,1.3527;-2.9199,-.4469,1.0527;-2.3399,-.7955,3.1339;-1.3018,-.4275,3.0103;-2.3012,-1.641,3.841;-3.1941,.3037,3.7668;-4.2219,-.0786,3.8962;-3.252,1.1675,3.0743;-2.6799,.7709,5.1238;-3.2299,1.6717,5.4685;-1.6184,1.077,5.0498;-2.8391,-.2634,6.2428;-2.2921,-.8848,8.6268;-3.2637,-1.4032,8.7136;-2.1192,-.3733,9.5965;-1.2195,-1.9716,8.4383;-1.45,-2.51,7.5007;-1.3018,-2.7094,9.2617;.2057,-1.4263,8.374;.4533,-.9268,9.3333;.2386,-.6395,7.5993;1.2817,-2.4695,8.0583;2.2549,-1.9572,7.9376;1.055,-2.9322,7.0794;1.4303,-3.5679,9.1111;1.6261,-3.1329,10.1098;.5147,-4.1802,9.1903;2.2679,-4.2485,8.8693;-3.4781,-1.3174,6.0254;-2.3752,.1326,7.5187;-1.6696,.9713,7.5489;-6.5622,1.1168,6.0061;-5.7768,1.8212,5.6867;-7.5402,1.4827,5.6449;-6.3537,.1422,5.5324;-6.5464,.9896,7.5329;-6.7436,1.9795,7.9855;-7.3723,.3226,7.8563;-5.2279,.4254,8.0785;-4.9597,-.473,7.4884;-5.3656,.0858,9.1205;-4.0756,1.4488,8.0631;-4.1058,2.4511,7.3332;-3.5435,1.5144,9.0477;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723808942432</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006934913791 0.000826568293 0.032612397481 0.008512427532</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029871446 -0.002191973 0.000141235 0.000167978 0.000349855 0.000535132 0.000662691 0.001269177 0.001403846 0.002347506 0.002815498 0.003047111 0.004118198 0.005239977 0.005523213 0.005824347 0.006178857 0.007834842 0.008787820 0.010597564 0.011643517 0.012833524 0.016574654 0.018142818 0.019812190 0.021452747 0.024139215 0.027368930 0.029956170 0.031820470 0.033536994 0.035902515 0.037428123 0.039538365 0.045109181 0.046543558 0.047703851 0.048813025 0.050200156 0.050773421 0.052507266 0.052644133 0.054434247 0.055826989 0.057519305 0.057857014 0.059203658 0.065649341 0.066293985 0.071967414 0.074597441 0.076288933 0.077076923 0.078058552 0.081532932 0.081998941 0.086269066 0.091107835 0.092311802 0.093848614 0.099889112 0.101439996 0.109549115 0.111709107 0.112876231 0.113438250 0.114940824 0.119174493 0.128043880 0.131107175 0.136444768 0.140174989 0.146018334 0.152620260 0.153697259 0.157814896 0.161744003 0.170600920 0.179014445 0.184489266 0.193440333 0.194382031 0.203809392 0.213550585 0.217546723 0.224711622 0.239490793 0.250267545 0.261691715 0.276189352 0.297390306 0.313869031 0.340774146 0.404587457 0.419966750 0.460995590 0.521694086 0.555313445 0.565504188 0.598221912 0.633530664 0.674246830 0.675443097 0.740320836 0.753017537 0.757089109 0.763436849 0.773490677 0.781453569 0.785059876 0.789385559 0.801482785 0.810974515 0.819247816 0.820638234 0.825681805 0.843480903 0.850018994 0.853296466 0.868064737 0.892396803 0.894530403 0.900558067 0.913382703 0.917961772 0.920236906 0.923963705 0.965120981 0.976756118 0.993660251 1.377003506 1.484451224</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">72</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8786658" y3="-1.27093343" z3="1.78937987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90084039" y3="-1.6778603" z3="1.89492011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.24437349" y3="-2.06621931" z3="1.35604263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.92609616" y3="-0.44218843" z3="1.05745379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.34577971" y3="-0.79304611" z3="3.13803659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.3073053" y3="-0.42644562" z3="3.01426176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30800893" y3="-1.63898296" z3="3.84458209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19811256" y3="0.30702343" z3="3.77178301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22637747" y3="-0.07378934" z3="3.90119976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25505033" y3="1.17114491" z3="3.07955101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68226772" y3="0.77328978" z3="5.12856993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22978918" y3="1.67535267" z3="5.47380468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62023389" y3="1.07723526" z3="5.05339805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84179597" y3="-0.2607971" z3="6.24812729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29162753" y3="-0.88057712" z3="8.63203142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2659572" y3="-1.39573906" z3="8.72643435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.1110664" y3="-0.36702733" z3="9.60056203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.22224051" y3="-1.96992701" z3="8.4390864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.45778413" y3="-2.50781009" z3="7.50167616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30282982" y3="-2.70760438" z3="9.26275742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20361877" y3="-1.42596728" z3="8.37009813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45433972" y3="-0.92559329" z3="9.32834752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23500634" y3="-0.63984727" z3="7.59467248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.27734477" y3="-2.4710526" z3="8.05211238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.25189169" y3="-1.96051213" z3="7.92568556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04503296" y3="-2.93611359" z3="7.07464631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42791222" y3="-3.56742595" z3="9.10686066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6305785" y3="-3.13076082" z3="10.1036093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51043792" y3="-4.17626414" z3="9.19215199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.26174065" y3="-4.25134641" z3="8.86134553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48335242" y3="-1.31387523" z3="6.03148091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.37535566" y3="0.13494769" z3="7.52258294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67099594" y3="0.9744599" z3="7.55180695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.54189772" y3="1.1012386" z3="5.99671617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.75725258" y3="1.80643157" z3="5.68525135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.52162906" y3="1.45572422" z3="5.61703445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.32106063" y3="0.12053964" z3="5.53268624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.53862814" y3="0.9846017" z3="7.516728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74329848" y3="1.97549778" z3="7.96032163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36661641" y3="0.31972112" z3="7.82748151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22584063" y3="0.4291993" z3="8.08182118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95252738" y3="-0.47621051" z3="7.50455293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.37991651" y3="0.10106699" z3="9.12957477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07399914" y3="1.45071632" z3="8.07229873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10231186" y3="2.45596117" z3="7.34757087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54098731" y3="1.510221" z3="9.05679139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8787,-1.2709,1.7894;-3.9008,-1.6779,1.8949;-2.2444,-2.0662,1.356;-2.9261,-.4422,1.0575;-2.3458,-.793,3.138;-1.3073,-.4264,3.0143;-2.308,-1.639,3.8446;-3.1981,.307,3.7718;-4.2264,-.0738,3.9012;-3.2551,1.1711,3.0796;-2.6823,.7733,5.1286;-3.2298,1.6754,5.4738;-1.6202,1.0772,5.0534;-2.8418,-.2608,6.2481;-2.2916,-.8806,8.632;-3.266,-1.3957,8.7264;-2.1111,-.367,9.6006;-1.2222,-1.9699,8.4391;-1.4578,-2.5078,7.5017;-1.3028,-2.7076,9.2628;.2036,-1.426,8.3701;.4543,-.9256,9.3283;.235,-.6398,7.5947;1.2773,-2.4711,8.0521;2.2519,-1.9605,7.9257;1.045,-2.9361,7.0746;1.4279,-3.5674,9.1069;1.6306,-3.1308,10.1036;.5104,-4.1763,9.1922;2.2617,-4.2513,8.8613;-3.4834,-1.3139,6.0315;-2.3754,.1349,7.5226;-1.671,.9745,7.5518;-6.5419,1.1012,5.9967;-5.7573,1.8064,5.6853;-7.5216,1.4557,5.617;-6.3211,.1205,5.5327;-6.5386,.9846,7.5167;-6.7433,1.9755,7.9603;-7.3666,.3197,7.8275;-5.2258,.4292,8.0818;-4.9525,-.4762,7.5046;-5.3799,.1011,9.1296;-4.074,1.4507,8.0723;-4.1023,2.456,7.3476;-3.541,1.5102,9.0568;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723871744059</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005295874069 0.000771582513 0.032378046190 0.008513463906</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.029987161 -0.002327435 0.000141268 0.000184440 0.000350376 0.000542894 0.000662838 0.001343493 0.001438212 0.002418842 0.002863107 0.003239836 0.004213494 0.005263220 0.005655513 0.005825144 0.006423954 0.007986968 0.009001806 0.010751969 0.011831501 0.013023922 0.016583386 0.018153435 0.019915366 0.021491450 0.024153506 0.027373227 0.029956820 0.031820545 0.033540198 0.035910562 0.037427851 0.039538497 0.045110472 0.046544325 0.047701918 0.048811968 0.050200333 0.050776584 0.052512589 0.052648986 0.054433564 0.055902252 0.057559956 0.057860674 0.059203348 0.065655360 0.066294125 0.071968707 0.075269090 0.076289378 0.077077439 0.078111994 0.081549495 0.082180379 0.086308911 0.091145071 0.092564294 0.093953973 0.099907539 0.101725780 0.109565502 0.111709239 0.112877036 0.113441529 0.115021472 0.119174881 0.128061945 0.131558477 0.136445177 0.140174544 0.146069197 0.152661014 0.153703519 0.157866554 0.162648401 0.170600414 0.179069080 0.184490282 0.193452328 0.194381784 0.204670550 0.213683839 0.217583967 0.224808441 0.239483417 0.250581095 0.261698673 0.276173441 0.297389580 0.313867868 0.340774000 0.404591236 0.420042400 0.461046323 0.521692773 0.555348700 0.565516043 0.598220141 0.633562825 0.674633822 0.675480812 0.740356370 0.753035620 0.757092002 0.764075382 0.773555158 0.781564104 0.785067944 0.789395787 0.801505121 0.810984250 0.819265790 0.820646225 0.825683321 0.843989543 0.850023155 0.853296410 0.868064632 0.892399573 0.894548805 0.900612111 0.913404986 0.917996278 0.920236881 0.923966496 0.967978473 0.976776175 0.993671198 1.377069745 1.484464454</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">73</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.88537358" y3="-1.26690821" z3="1.79232864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.90806867" y3="-1.67258645" z3="1.89793488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.25222164" y3="-2.06265534" z3="1.3580081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.93200495" y3="-0.43745786" z3="1.06111028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.35125902" y3="-0.79085945" z3="3.14128591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.31221649" y3="-0.42574234" z3="3.01729364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31435516" y3="-1.63744845" z3="3.84711599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20174663" y3="0.31011048" z3="3.77624256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23070263" y3="-0.06889045" z3="3.90560512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25754973" y3="1.17483745" z3="3.08467067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68468242" y3="0.7746761" z3="5.133092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22934101" y3="1.67813727" z3="5.47942291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6217907" y3="1.0758878" z3="5.05773847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84584603" y3="-0.25884694" z3="6.25253044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29283265" y3="-0.87835123" z3="8.63614838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26501297" y3="-1.39376026" z3="8.73176033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.11090233" y3="-0.36679864" z3="9.6038394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.22462394" y3="-1.96769436" z3="8.43943914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46315697" y3="-2.50497431" z3="7.50285581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3026604" y3="-2.7058443" z3="9.26298888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.20135108" y3="-1.42492917" z3="8.36586461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45503806" y3="-0.92387895" z3="9.32306329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.23137981" y3="-0.63948727" z3="7.5897441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.27415265" y3="-2.47021947" z3="8.04696687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.24708468" y3="-1.95931494" z3="7.92120129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.04272223" y3="-2.93426425" z3="7.0702008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42581133" y3="-3.56705403" z3="9.1010215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61471812" y3="-3.13304002" z3="10.09704251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51735587" y3="-4.18305754" z3="9.17770768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.2651084" y3="-4.24146868" z3="8.86466359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48422126" y3="-1.31299938" z3="6.03615805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38123444" y3="0.13885819" z3="7.52811424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67478252" y3="0.97693048" z3="7.55570695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.51807424" y3="1.08093439" z3="5.98138916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.72841408" y3="1.78081398" z3="5.66452707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.48925102" y3="1.43914973" z3="5.59272796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.29949727" y3="0.0967473" z3="5.53197956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5325876" y3="0.98515175" z3="7.51046596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73553253" y3="1.9878801" z3="7.93626057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36783722" y3="0.3283005" z3="7.82914152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22988554" y3="0.42951934" z3="8.09109907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95540406" y3="-0.48187022" z3="7.52546554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.38964698" y3="0.11209234" z3="9.13810411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.072745" y3="1.44807195" z3="8.07854676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10174323" y3="2.45525951" z3="7.35502457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54148611" y3="1.50750008" z3="9.06428933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8854,-1.2669,1.7923;-3.9081,-1.6726,1.8979;-2.2522,-2.0627,1.358;-2.932,-.4375,1.0611;-2.3513,-.7909,3.1413;-1.3122,-.4257,3.0173;-2.3144,-1.6374,3.8471;-3.2017,.3101,3.7762;-4.2307,-.0689,3.9056;-3.2575,1.1748,3.0847;-2.6847,.7747,5.1331;-3.2293,1.6781,5.4794;-1.6218,1.0759,5.0577;-2.8458,-.2588,6.2525;-2.2928,-.8784,8.6361;-3.265,-1.3938,8.7318;-2.1109,-.3668,9.6038;-1.2246,-1.9677,8.4394;-1.4632,-2.505,7.5029;-1.3027,-2.7058,9.263;.2014,-1.4249,8.3659;.455,-.9239,9.3231;.2314,-.6395,7.5897;1.2742,-2.4702,8.047;2.2471,-1.9593,7.9212;1.0427,-2.9343,7.0702;1.4258,-3.5671,9.101;1.6147,-3.133,10.097;.5174,-4.1831,9.1777;2.2651,-4.2415,8.8647;-3.4842,-1.313,6.0362;-2.3812,.1389,7.5281;-1.6748,.9769,7.5557;-6.5181,1.0809,5.9814;-5.7284,1.7808,5.6645;-7.4893,1.4391,5.5927;-6.2995,.0967,5.532;-6.5326,.9852,7.5105;-6.7355,1.9879,7.9363;-7.3678,.3283,7.8291;-5.2299,.4295,8.0911;-4.9554,-.4819,7.5255;-5.3896,.1121,9.1381;-4.0727,1.4481,8.0785;-4.1017,2.4553,7.355;-3.5415,1.5075,9.0643;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723907827934</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003091833075 0.000969670731 0.028733155785 0.008512388555</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.030245234 -0.003056921 0.000141973 0.000200275 0.000354234 0.000541552 0.000666651 0.001356193 0.001667605 0.002437441 0.002875663 0.003490584 0.004812748 0.005290487 0.005790546 0.005827980 0.006780521 0.008129409 0.009299616 0.010794729 0.011903945 0.013196763 0.016586050 0.018159033 0.020134318 0.021528864 0.024198104 0.027375734 0.029959371 0.031826145 0.033541773 0.036027549 0.037429345 0.039540575 0.045116231 0.046545927 0.047702380 0.048813838 0.050200572 0.050778397 0.052512383 0.052658411 0.054438529 0.055913389 0.057555630 0.057873883 0.059205656 0.065654697 0.066294161 0.071971867 0.075684276 0.076290316 0.077078286 0.078144399 0.081557240 0.082300326 0.086325326 0.091158117 0.092778918 0.094118537 0.099925607 0.101892336 0.109606295 0.111708237 0.112877247 0.113445349 0.115165097 0.119176095 0.128087882 0.131904852 0.136447300 0.140179802 0.146105053 0.152658514 0.153702095 0.157891732 0.163483141 0.170702433 0.179065614 0.184490222 0.193555107 0.194482229 0.205918915 0.214628997 0.217632006 0.224808813 0.239627985 0.250781678 0.261739575 0.276214736 0.297555924 0.313948166 0.340871925 0.405278173 0.420061776 0.461681075 0.521838588 0.555633678 0.565539497 0.598556444 0.633640771 0.675032867 0.675630720 0.740397840 0.753376803 0.757103341 0.764732754 0.773996094 0.781976375 0.785106987 0.789429294 0.801786882 0.811095940 0.819281946 0.820682554 0.825683330 0.844736700 0.850032428 0.853299805 0.868099634 0.892409185 0.894598910 0.900664443 0.913473283 0.918034396 0.920237498 0.923963159 0.968767414 0.976791350 0.993680844 1.377070355 1.484493761</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">74</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.89104963" y3="-1.26233104" z3="1.79545479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.91419365" y3="-1.66683516" z3="1.90064776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.25889766" y3="-2.05848183" z3="1.36059447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.9366098" y3="-0.43232207" z3="1.06485563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.35638433" y3="-0.78801269" z3="3.14474311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.31681039" y3="-0.42449896" z3="3.0211047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32077829" y3="-1.63514546" z3="3.84995168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20499814" y3="0.31396367" z3="3.78039258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23476221" y3="-0.0629306" z3="3.90932749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25915486" y3="1.17923726" z3="3.08942288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68675193" y3="0.77674246" z3="5.13744321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.229203" y3="1.68110133" z3="5.48508642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62335329" y3="1.07584089" z3="5.06193182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84885966" y3="-0.25691591" z3="6.25646405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29368979" y3="-0.87712508" z3="8.63948285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26688266" y3="-1.39152948" z3="8.73915006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.10787569" y3="-0.36504782" z3="9.60672759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.22650141" y3="-1.96672024" z3="8.44023759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46715489" y3="-2.50422602" z3="7.50462579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30303678" y3="-2.70452546" z3="9.26413682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19924841" y3="-1.42416007" z3="8.36341561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45511134" y3="-0.92268534" z3="9.31950335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.22756585" y3="-0.63927804" z3="7.58664993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.27077789" y3="-2.47051338" z3="8.04173925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.24515143" y3="-1.96087145" z3="7.91161141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03452512" y3="-2.9357149" z3="7.06541722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42479726" y3="-3.56622425" z3="9.09653145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63538513" y3="-3.12670721" z3="10.09394134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.50334576" y3="-4.17386205" z3="9.18840407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.25781235" y3="-4.25368256" z3="8.84566134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48867062" y3="-1.3102349" z3="6.04024644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.38422812" y3="0.14068939" z3="7.53226606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67620508" y3="0.97741149" z3="7.55870349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.49990743" y3="1.06504449" z3="5.97067716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.70935594" y3="1.76337012" z3="5.6558585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.47123301" y3="1.41420116" z3="5.5639948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.27352689" y3="0.07406275" z3="5.53357738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52721293" y3="0.98465785" z3="7.49476231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73276372" y3="1.988244" z3="7.90969608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36490002" y3="0.33129988" z3="7.80930868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.22885967" y3="0.43249238" z3="8.09996507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95035584" y3="-0.48699675" z3="7.5481785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.40436968" y3="0.1279721" z3="9.15180355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.06938338" y3="1.44807016" z3="8.08667044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10076113" y3="2.45733174" z3="7.36507526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53900781" y3="1.50630184" z3="9.07244826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.891,-1.2623,1.7955;-3.9142,-1.6668,1.9006;-2.2589,-2.0585,1.3606;-2.9366,-.4323,1.0649;-2.3564,-.788,3.1447;-1.3168,-.4245,3.0211;-2.3208,-1.6351,3.85;-3.205,.314,3.7804;-4.2348,-.0629,3.9093;-3.2592,1.1792,3.0894;-2.6868,.7767,5.1374;-3.2292,1.6811,5.4851;-1.6234,1.0758,5.0619;-2.8489,-.2569,6.2565;-2.2937,-.8771,8.6395;-3.2669,-1.3915,8.7392;-2.1079,-.365,9.6067;-1.2265,-1.9667,8.4402;-1.4672,-2.5042,7.5046;-1.303,-2.7045,9.2641;.1992,-1.4242,8.3634;.4551,-.9227,9.3195;.2276,-.6393,7.5866;1.2708,-2.4705,8.0417;2.2452,-1.9609,7.9116;1.0345,-2.9357,7.0654;1.4248,-3.5662,9.0965;1.6354,-3.1267,10.0939;.5033,-4.1739,9.1884;2.2578,-4.2537,8.8457;-3.4887,-1.3102,6.0402;-2.3842,.1407,7.5323;-1.6762,.9774,7.5587;-6.4999,1.065,5.9707;-5.7094,1.7634,5.6559;-7.4712,1.4142,5.564;-6.2735,.0741,5.5336;-6.5272,.9847,7.4948;-6.7328,1.9882,7.9097;-7.3649,.3313,7.8093;-5.2289,.4325,8.1;-4.9504,-.487,7.5482;-5.4044,.128,9.1518;-4.0694,1.4481,8.0867;-4.1008,2.4573,7.3651;-3.539,1.5063,9.0724;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.723967609080</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003424988913 0.001003113163 0.029641637631 0.008512754867</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.030346629 -0.002776019 0.000143654 0.000206456 0.000354474 0.000547056 0.000668210 0.001355974 0.001828674 0.002438023 0.002876130 0.003521179 0.005131138 0.005420064 0.005823972 0.006127157 0.007497452 0.008275056 0.009804772 0.010799613 0.011909784 0.013199910 0.016594171 0.018158191 0.020257339 0.021523086 0.024257292 0.027375220 0.029965648 0.031831441 0.033547285 0.036314758 0.037469895 0.039542482 0.045143005 0.046552227 0.047720779 0.048821710 0.050200526 0.050778219 0.052514782 0.052666595 0.054453200 0.055947519 0.057552588 0.057885944 0.059208517 0.065656201 0.066294151 0.071972890 0.075626665 0.076290080 0.077077621 0.078143878 0.081556965 0.082291838 0.086332661 0.091162494 0.092816156 0.094164547 0.099944836 0.102050599 0.109700757 0.111725524 0.112877357 0.113444495 0.115280680 0.119176578 0.128119637 0.132060968 0.136451593 0.140193532 0.146104013 0.152691491 0.153706670 0.157890629 0.163748012 0.170916232 0.179138828 0.184493588 0.193564151 0.194748770 0.206537936 0.215947917 0.217757567 0.224829539 0.239924054 0.251014280 0.261794781 0.276247943 0.298028056 0.314257360 0.341124758 0.406191374 0.420264501 0.462611716 0.522176751 0.555921910 0.565706694 0.599659499 0.633677362 0.675121373 0.675922921 0.740398681 0.753977491 0.757126797 0.765091401 0.774503914 0.782458893 0.785186861 0.789476875 0.802351154 0.811280465 0.819279229 0.820696892 0.825683669 0.845687935 0.850036373 0.853305689 0.868241040 0.892424163 0.894674880 0.900673650 0.913495709 0.918047637 0.920237445 0.924099428 0.969600983 0.976793698 0.993684202 1.377101227 1.484518956</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">75</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.89892014" y3="-1.25815413" z3="1.79986807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.92283816" y3="-1.66084671" z3="1.90512952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.26827934" y3="-2.05537332" z3="1.36466211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.94303082" y3="-0.42780283" z3="1.06955733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.36311571" y3="-0.78529225" z3="3.14920661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.32276436" y3="-0.42387264" z3="3.0255386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.3291664" y3="-1.63275835" z3="3.85410942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20930267" y3="0.31829545" z3="3.78539367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24009964" y3="-0.05595047" z3="3.91364054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2612346" y3="1.18415281" z3="3.09496078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68985675" y3="0.7790189" z3="5.14264697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22973634" y3="1.6843681" z3="5.49193377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62583011" y3="1.07594335" z3="5.06684855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85341456" y3="-0.25457276" z3="6.26138914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29419601" y3="-0.87338811" z3="8.64511292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26833514" y3="-1.38653127" z3="8.7517676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.10128733" y3="-0.35994745" z3="9.61132479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.22895933" y3="-1.96508863" z3="8.44080212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47430445" y3="-2.50335702" z3="7.50614232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30299628" y3="-2.70218127" z3="9.26568627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19753398" y3="-1.42426166" z3="8.3587313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45648278" y3="-0.92180889" z3="9.31368969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.2247635" y3="-0.64010291" z3="7.58121594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.26759467" y3="-2.47148583" z3="8.03629313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.24104473" y3="-1.96185269" z3="7.90386452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.03010328" y3="-2.93770979" z3="7.06135417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42339104" y3="-3.56648364" z3="9.091875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61848005" y3="-3.13087923" z3="10.08629633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51416806" y3="-4.18116964" z3="9.1742787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.26052412" y3="-4.24267689" z3="8.8511997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49184571" y3="-1.30827457" z3="6.04534398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39000953" y3="0.14473162" z3="7.53810868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.67940624" y3="0.97948784" z3="7.56197304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.47778203" y3="1.0454562" z3="5.95780293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.68240388" y3="1.73914681" z3="5.64352883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.44159137" y3="1.39202636" z3="5.54264598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.24654434" y3="0.05324369" z3="5.53197903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52068085" y3="0.98124909" z3="7.48433328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72760848" y3="1.98961037" z3="7.88646949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36390025" y3="0.33355578" z3="7.79468031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2312611" y3="0.43635214" z3="8.1033048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95184342" y3="-0.48963339" z3="7.56371288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.41391316" y3="0.14282875" z3="9.15436709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.06672702" y3="1.44793866" z3="8.09178588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09561637" y3="2.45961855" z3="7.37317403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53925314" y3="1.50488811" z3="9.08015845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8989,-1.2582,1.7999;-3.9228,-1.6608,1.9051;-2.2683,-2.0554,1.3647;-2.943,-.4278,1.0696;-2.3631,-.7853,3.1492;-1.3228,-.4239,3.0255;-2.3292,-1.6328,3.8541;-3.2093,.3183,3.7854;-4.2401,-.056,3.9136;-3.2612,1.1842,3.095;-2.6899,.779,5.1426;-3.2297,1.6844,5.4919;-1.6258,1.0759,5.0668;-2.8534,-.2546,6.2614;-2.2942,-.8734,8.6451;-3.2683,-1.3865,8.7518;-2.1013,-.3599,9.6113;-1.229,-1.9651,8.4408;-1.4743,-2.5034,7.5061;-1.303,-2.7022,9.2657;.1975,-1.4243,8.3587;.4565,-.9218,9.3137;.2248,-.6401,7.5812;1.2676,-2.4715,8.0363;2.241,-1.9619,7.9039;1.0301,-2.9377,7.0614;1.4234,-3.5665,9.0919;1.6185,-3.1309,10.0863;.5142,-4.1812,9.1743;2.2605,-4.2427,8.8512;-3.4918,-1.3083,6.0453;-2.39,.1447,7.5381;-1.6794,.9795,7.562;-6.4778,1.0455,5.9578;-5.6824,1.7391,5.6435;-7.4416,1.392,5.5426;-6.2465,.0532,5.532;-6.5207,.9812,7.4843;-6.7276,1.9896,7.8865;-7.3639,.3336,7.7947;-5.2313,.4364,8.1033;-4.9518,-.4896,7.5637;-5.4139,.1428,9.1544;-4.0667,1.4479,8.0918;-4.0956,2.4596,7.3732;-3.5393,1.5049,9.0802;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724044980874</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002927465878 0.000761222107 0.030259460891 0.008512614218</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.030369069 -0.002004966 0.000143821 0.000208247 0.000354491 0.000575345 0.000675179 0.001359965 0.001921401 0.002440870 0.002876180 0.003530741 0.005178591 0.005576711 0.005831178 0.006358317 0.007906216 0.008605612 0.010161926 0.010816814 0.011910755 0.013313362 0.016616253 0.018181141 0.020290138 0.021550295 0.024276990 0.027377776 0.029971750 0.031834065 0.033564614 0.036474469 0.037486962 0.039542564 0.045152606 0.046552071 0.047725937 0.048819501 0.050200903 0.050778458 0.052517847 0.052667909 0.054448434 0.056067769 0.057555642 0.057884643 0.059210597 0.065661577 0.066294384 0.071983187 0.075780652 0.076293408 0.077079473 0.078148459 0.081556687 0.082287228 0.086334464 0.091162934 0.092814977 0.094162516 0.099973092 0.102255085 0.109778447 0.111800866 0.112882753 0.113448449 0.115295724 0.119176558 0.128148138 0.132066942 0.136457200 0.140213208 0.146105675 0.152775405 0.153717923 0.157939873 0.163785303 0.171071626 0.179333353 0.184498586 0.193590602 0.194968096 0.206672109 0.216629328 0.217830374 0.224834778 0.239978760 0.251326319 0.261812531 0.276334584 0.298475032 0.314690050 0.341436369 0.406601415 0.420676549 0.463091811 0.522523796 0.555937656 0.566006828 0.600781142 0.633677813 0.675140128 0.675935142 0.740429311 0.754497889 0.757158045 0.765158821 0.774762828 0.782710865 0.785236927 0.789496206 0.802671073 0.811440307 0.819414305 0.820909268 0.825685046 0.846171986 0.850036487 0.853309051 0.868424198 0.892451985 0.894837702 0.900824904 0.913517700 0.918048484 0.920237193 0.924514427 0.969930482 0.976797144 0.993684902 1.377133088 1.484524234</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">76</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.90560802" y3="-1.25267723" z3="1.80306323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.93022838" y3="-1.65352445" z3="1.90840827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.27653489" y3="-2.05080052" z3="1.36724515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.94845179" y3="-0.42186528" z3="1.07322938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.36855331" y3="-0.78156414" z3="3.1525776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.3274557" y3="-0.42229219" z3="3.02903265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.33635967" y3="-1.62940527" z3="3.85708126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.21245394" y3="0.32345077" z3="3.78926145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24420917" y3="-0.04831519" z3="3.91596741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26195096" y3="1.1901123" z3="3.0996944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69279685" y3="0.78176306" z3="5.1471533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23089509" y3="1.6876508" z3="5.49809623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62831071" y3="1.07709892" z3="5.07203703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8575198" y3="-0.25214125" z3="6.26493862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29569726" y3="-0.87275879" z3="8.64768779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26600639" y3="-1.38819956" z3="8.75172526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.10631575" y3="-0.36247539" z3="9.61333319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23004368" y3="-1.96261342" z3="8.44237041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47648409" y3="-2.50100422" z3="7.50878983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.302511" y3="-2.69989334" z3="9.26709116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1966143" y3="-1.4232761" z3="8.35703886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45876757" y3="-0.92048588" z3="9.31099715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.22321683" y3="-0.63990209" z3="7.57869643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.26506199" y3="-2.47230407" z3="8.03223151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.23903385" y3="-1.96388387" z3="7.8975959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02485672" y3="-2.93862856" z3="7.05783517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42308051" y3="-3.56700934" z3="9.08758794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6316922" y3="-3.12801812" z3="10.08329576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.50620143" y3="-4.1776418" z3="9.17978186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.25721918" y3="-4.25045501" z3="8.83824644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49452824" y3="-1.30591909" z3="6.04855693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39538955" y3="0.147963" z3="7.54307644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68190171" y3="0.98039277" z3="7.56533899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.45725262" y3="1.02518682" z3="5.94530519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.66282402" y3="1.71790778" z3="5.62738009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.42012651" y3="1.36554501" z3="5.51238652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.22366027" y3="0.02509239" z3="5.53598077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51329145" y3="0.98244732" z3="7.47309723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72058622" y3="2.00238417" z3="7.8578208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36198564" y3="0.34218732" z3="7.78965429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23179592" y3="0.4368764" z3="8.1123819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9531355" y3="-0.49587564" z3="7.58740552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.42718257" y3="0.15913814" z3="9.1683099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.06308416" y3="1.44529249" z3="8.09581956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09501286" y3="2.4583546" z3="7.3773244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.5395697" y3="1.50454196" z3="9.08595907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9056,-1.2527,1.8031;-3.9302,-1.6535,1.9084;-2.2765,-2.0508,1.3672;-2.9485,-.4219,1.0732;-2.3686,-.7816,3.1526;-1.3275,-.4223,3.029;-2.3364,-1.6294,3.8571;-3.2125,.3235,3.7893;-4.2442,-.0483,3.916;-3.262,1.1901,3.0997;-2.6928,.7818,5.1472;-3.2309,1.6877,5.4981;-1.6283,1.0771,5.072;-2.8575,-.2521,6.2649;-2.2957,-.8728,8.6477;-3.266,-1.3882,8.7517;-2.1063,-.3625,9.6133;-1.23,-1.9626,8.4424;-1.4765,-2.501,7.5088;-1.3025,-2.6999,9.2671;.1966,-1.4233,8.357;.4588,-.9205,9.311;.2232,-.6399,7.5787;1.2651,-2.4723,8.0322;2.239,-1.9639,7.8976;1.0249,-2.9386,7.0578;1.4231,-3.567,9.0876;1.6317,-3.128,10.0833;.5062,-4.1776,9.1798;2.2572,-4.2505,8.8382;-3.4945,-1.3059,6.0486;-2.3954,.148,7.5431;-1.6819,.9804,7.5653;-6.4573,1.0252,5.9453;-5.6628,1.7179,5.6274;-7.4201,1.3655,5.5124;-6.2237,.0251,5.536;-6.5133,.9824,7.4731;-6.7206,2.0024,7.8578;-7.362,.3422,7.7897;-5.2318,.4369,8.1124;-4.9531,-.4959,7.5874;-5.4272,.1591,9.1683;-4.0631,1.4453,8.0958;-4.095,2.4584,7.3773;-3.5396,1.5045,9.086;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724106354032</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003729492328 0.000840600229 0.027775878160 0.008511989361</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.030562319 -0.001824520 0.000143957 0.000209047 0.000354595 0.000575488 0.000675109 0.001364599 0.001972029 0.002463171 0.002876502 0.003531138 0.005209256 0.005630146 0.005836970 0.006531523 0.008039700 0.008943875 0.010271393 0.010887485 0.011913920 0.013677457 0.016637367 0.018224810 0.020292677 0.021641748 0.024274964 0.027389110 0.029973755 0.031833655 0.033585044 0.036479150 0.037486356 0.039542790 0.045160737 0.046551702 0.047726160 0.048828188 0.050202112 0.050781372 0.052521736 0.052668721 0.054446745 0.056281787 0.057546461 0.057893147 0.059210394 0.065663810 0.066294554 0.071991930 0.076098216 0.076305023 0.077079489 0.078173170 0.081555190 0.082289743 0.086381468 0.091164269 0.092922668 0.094243827 0.099997233 0.102628985 0.109792837 0.111862867 0.112889803 0.113457043 0.115300706 0.119176925 0.128170344 0.132087054 0.136461126 0.140228073 0.146122695 0.152818254 0.153724768 0.158020332 0.163954816 0.171089255 0.179574404 0.184506791 0.193900362 0.195273161 0.206669433 0.216748210 0.217833112 0.224842395 0.239978616 0.252023005 0.261815761 0.276723727 0.298831038 0.315036025 0.341647585 0.406590988 0.421609444 0.463110116 0.522639832 0.556125155 0.566256773 0.601295325 0.633727867 0.675278891 0.676432607 0.740576857 0.754773402 0.757181798 0.765244313 0.774775199 0.782732011 0.785247377 0.789497164 0.802760113 0.811478854 0.819482761 0.821066222 0.825689109 0.846211355 0.850039630 0.853308903 0.868542993 0.892459011 0.894883089 0.900823152 0.913528196 0.918048869 0.920237207 0.924678164 0.970960140 0.976797988 0.993744473 1.377139746 1.484531262</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">77</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91382294" y3="-1.24774342" z3="1.80756571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.93940947" y3="-1.64605085" z3="1.91345202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.28695283" y3="-2.04742058" z3="1.37142315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.95498966" y3="-0.41674326" z3="1.0778377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.37509667" y3="-0.77802811" z3="3.15681364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.3330131" y3="-0.42164659" z3="3.03313573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.3452427" y3="-1.62589118" z3="3.86141929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.21592668" y3="0.32933537" z3="3.79345379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24909476" y3="-0.03901659" z3="3.91915853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26223315" y3="1.19655375" z3="3.1043163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69537058" y3="0.7853856" z3="5.15182452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23157366" y3="1.69203647" z3="5.50383806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63037152" y3="1.07896319" z3="5.07666262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86119854" y3="-0.24931164" z3="6.26895978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29397337" y3="-0.87008729" z3="8.65175348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2696675" y3="-1.38151907" z3="8.76699761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.09275347" y3="-0.3552648" z3="9.61688894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23103652" y3="-1.96374774" z3="8.44242513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48106926" y3="-2.50313227" z3="7.50997511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3021344" y3="-2.69943682" z3="9.26882381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19588564" y3="-1.42552029" z3="8.35350652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.45952036" y3="-0.92214406" z3="9.30626988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.22134922" y3="-0.64270906" z3="7.57455795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.26324723" y3="-2.47457852" z3="8.02840046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.23657511" y3="-1.96626453" z3="7.89200164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.02175985" y3="-2.94118005" z3="7.05483866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42262671" y3="-3.56901667" z3="9.08397639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62714047" y3="-3.13174561" z3="10.07778352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.51015172" y3="-4.18120883" z3="9.1738497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.25705327" y3="-4.24918674" z3="8.83706978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50130233" y3="-1.30157981" z3="6.05283618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39602037" y3="0.14919995" z3="7.54614744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68221111" y3="0.98131447" z3="7.56710189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.43998772" y3="1.00588177" z3="5.93250392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.64211358" y3="1.6952407" z3="5.61412418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.397471" y3="1.33776913" z3="5.4895168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.19723199" y3="0.00442651" z3="5.53559175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51107859" y3="0.97935718" z3="7.45747423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72095685" y3="1.99380931" z3="7.83383965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36105167" y3="0.34069956" z3="7.76648604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23369555" y3="0.44471008" z3="8.11882617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94796619" y3="-0.49843123" z3="7.60935882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.43788991" y3="0.18128708" z3="9.17394998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.0632346" y3="1.45090978" z3="8.10303674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09456965" y3="2.46490661" z3="7.3858874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53756651" y3="1.50727528" z3="9.09222763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9138,-1.2477,1.8076;-3.9394,-1.6461,1.9135;-2.287,-2.0474,1.3714;-2.955,-.4167,1.0778;-2.3751,-.778,3.1568;-1.333,-.4216,3.0331;-2.3452,-1.6259,3.8614;-3.2159,.3293,3.7935;-4.2491,-.039,3.9192;-3.2622,1.1966,3.1043;-2.6954,.7854,5.1518;-3.2316,1.692,5.5038;-1.6304,1.079,5.0767;-2.8612,-.2493,6.269;-2.294,-.8701,8.6518;-3.2697,-1.3815,8.767;-2.0928,-.3553,9.6169;-1.231,-1.9637,8.4424;-1.4811,-2.5031,7.51;-1.3021,-2.6994,9.2688;.1959,-1.4255,8.3535;.4595,-.9221,9.3063;.2213,-.6427,7.5746;1.2632,-2.4746,8.0284;2.2366,-1.9663,7.892;1.0218,-2.9412,7.0548;1.4226,-3.569,9.084;1.6271,-3.1317,10.0778;.5102,-4.1812,9.1738;2.2571,-4.2492,8.8371;-3.5013,-1.3016,6.0528;-2.396,.1492,7.5461;-1.6822,.9813,7.5671;-6.44,1.0059,5.9325;-5.6421,1.6952,5.6141;-7.3975,1.3378,5.4895;-6.1972,.0044,5.5356;-6.5111,.9794,7.4575;-6.721,1.9938,7.8338;-7.3611,.3407,7.7665;-5.2337,.4447,8.1188;-4.948,-.4984,7.6094;-5.4379,.1813,9.1739;-4.0632,1.4509,8.103;-4.0946,2.4649,7.3859;-3.5376,1.5073,9.0922;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724157740431</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005300908124 0.000954299862 0.030541254312 0.008512938376</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.030834298 -0.002484567 0.000145404 0.000214057 0.000355155 0.000587435 0.000679564 0.001365426 0.002006170 0.002474754 0.002876837 0.003542183 0.005266949 0.005680727 0.005850862 0.006655289 0.008115613 0.009198129 0.010324318 0.010946778 0.011915236 0.013979815 0.016644343 0.018272356 0.020436749 0.021766039 0.024302831 0.027403566 0.029973529 0.031843480 0.033601431 0.036575202 0.037539043 0.039545828 0.045169935 0.046551372 0.047725377 0.048886714 0.050204579 0.050783812 0.052520337 0.052671944 0.054449525 0.056337377 0.057631403 0.057953597 0.059212744 0.065663023 0.066294802 0.072000979 0.076232766 0.076341362 0.077079247 0.078173920 0.081554730 0.082281169 0.086434653 0.091164942 0.093028961 0.094373518 0.100007918 0.102923358 0.109793986 0.111880321 0.112894400 0.113468906 0.115511674 0.119177597 0.128185854 0.132205027 0.136466965 0.140241620 0.146132229 0.152834705 0.153724340 0.158104368 0.164103305 0.171088797 0.179736140 0.184513438 0.194175022 0.195674442 0.206792029 0.216766866 0.217841817 0.224866683 0.240019892 0.252825738 0.261815892 0.276766249 0.299076661 0.315372477 0.341824220 0.406703938 0.422793258 0.463131429 0.522676925 0.556848152 0.566487136 0.601444213 0.633858787 0.675325568 0.678485065 0.740852844 0.754923110 0.757201408 0.765437837 0.774777277 0.782735198 0.785251031 0.789497142 0.802781445 0.811486934 0.819550471 0.821286248 0.825694394 0.846316100 0.850054087 0.853309855 0.868618305 0.892481087 0.895040259 0.900919685 0.913543962 0.918048664 0.920238395 0.924677244 0.971654864 0.976798057 0.994131038 1.377170454 1.484554462</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">78</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.92163945" y3="-1.24139098" z3="1.81101191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.94817591" y3="-1.63706643" z3="1.91712517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.29702898" y3="-2.04247459" z3="1.37425781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.96096092" y3="-0.40991804" z3="1.081712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.38113944" y3="-0.77384066" z3="3.16030261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.33807027" y3="-0.42039788" z3="3.03655104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.35368389" y3="-1.62195875" z3="3.86466501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.21862839" y3="0.33563515" z3="3.79759602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25310795" y3="-0.02925481" z3="3.92187214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26173916" y3="1.20370373" z3="3.10929046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69712124" y3="0.78884027" z3="5.15652031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23091947" y3="1.69643814" z3="5.50967042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6314382" y3="1.08014293" z3="5.08131083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8643304" y3="-0.24636382" z3="6.27312498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29415328" y3="-0.86731032" z3="8.65555323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26456999" y3="-1.38062052" z3="8.76644981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0980929" y3="-0.35601367" z3="9.61895212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23211747" y3="-1.96040738" z3="8.44580622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48502469" y3="-2.49996172" z3="7.51404984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30221272" y3="-2.69641773" z3="9.27190238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19593903" y3="-1.4249915" z3="8.35243396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.4640932" y3="-0.92107897" z3="9.30442452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.22066629" y3="-0.64314897" z3="7.5724642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.26059729" y3="-2.47729073" z3="8.02391082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.23569917" y3="-1.97122043" z3="7.8820001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01339819" y3="-2.94590334" z3="7.05149363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42215488" y3="-3.57020993" z3="9.08079679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63475945" y3="-3.13069924" z3="10.07426484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.50634321" y3="-4.17997673" z3="9.17738711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.25417039" y3="-4.2540336" z3="8.82935862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50313666" y3="-1.29898749" z3="6.05642177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39813131" y3="0.15245912" z3="7.55043506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.6842503" y3="0.98454492" z3="7.57019556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.41976922" y3="0.981957" z3="5.9217909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.62228295" y3="1.66934745" z3="5.60050717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.37448435" y3="1.30727611" z3="5.46458909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.17180038" y3="-0.02611475" z3="5.54124414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5024442" y3="0.97607538" z3="7.44936608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71282517" y3="2.00738128" z3="7.80604932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35862953" y3="0.34522998" z3="7.76414255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23637344" y3="0.44597817" z3="8.12060764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95324407" y3="-0.49840541" z3="7.62471014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.45298733" y3="0.19847836" z3="9.18048774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.06387026" y3="1.45061343" z3="8.10519025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.0934097" y3="2.46535461" z3="7.38975254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53999631" y3="1.50645859" z3="9.09613937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9216,-1.2414,1.811;-3.9482,-1.6371,1.9171;-2.297,-2.0425,1.3743;-2.961,-.4099,1.0817;-2.3811,-.7738,3.1603;-1.3381,-.4204,3.0366;-2.3537,-1.622,3.8647;-3.2186,.3356,3.7976;-4.2531,-.0293,3.9219;-3.2617,1.2037,3.1093;-2.6971,.7888,5.1565;-3.2309,1.6964,5.5097;-1.6314,1.0801,5.0813;-2.8643,-.2464,6.2731;-2.2942,-.8673,8.6556;-3.2646,-1.3806,8.7664;-2.0981,-.356,9.619;-1.2321,-1.9604,8.4458;-1.485,-2.5,7.514;-1.3022,-2.6964,9.2719;.1959,-1.425,8.3524;.4641,-.9211,9.3044;.2207,-.6431,7.5725;1.2606,-2.4773,8.0239;2.2357,-1.9712,7.882;1.0134,-2.9459,7.0515;1.4222,-3.5702,9.0808;1.6348,-3.1307,10.0743;.5063,-4.18,9.1774;2.2542,-4.254,8.8294;-3.5031,-1.299,6.0564;-2.3981,.1525,7.5504;-1.6843,.9845,7.5702;-6.4198,.982,5.9218;-5.6223,1.6693,5.6005;-7.3745,1.3073,5.4646;-6.1718,-.0261,5.5412;-6.5024,.9761,7.4494;-6.7128,2.0074,7.806;-7.3586,.3452,7.7641;-5.2364,.446,8.1206;-4.9532,-.4984,7.6247;-5.453,.1985,9.1805;-4.0639,1.4506,8.1052;-4.0934,2.4654,7.3898;-3.54,1.5065,9.0961;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724195476817</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006273881522 0.001266170363 0.032610984456 0.008512975541</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.031383630 -0.003252025 0.000145668 0.000219339 0.000355193 0.000585816 0.000679868 0.001365115 0.002021625 0.002476345 0.002877139 0.003579988 0.005269843 0.005747385 0.005872504 0.006745264 0.008183841 0.009388002 0.010349357 0.010971438 0.011918400 0.014026962 0.016660243 0.018271200 0.020641579 0.021802753 0.024383191 0.027407294 0.029977766 0.031850201 0.033598870 0.036828690 0.037995708 0.039549597 0.045167235 0.046551874 0.047726162 0.048997508 0.050206517 0.050784734 0.052523077 0.052687903 0.054444984 0.056331575 0.057776777 0.058262747 0.059217966 0.065663263 0.066294615 0.071999029 0.076241189 0.076355198 0.077080536 0.078173375 0.081554898 0.082288907 0.086522999 0.091168935 0.093089499 0.094439761 0.100012948 0.103113573 0.109870002 0.111886945 0.112893605 0.113469482 0.115967311 0.119177885 0.128194469 0.132487095 0.136471138 0.140247904 0.146131405 0.152845241 0.153727755 0.158111508 0.164397615 0.171109521 0.179796138 0.184520333 0.194451428 0.196659849 0.207243050 0.216770026 0.217869541 0.224925035 0.240061717 0.254024023 0.261815394 0.276992124 0.299307832 0.315717562 0.341995490 0.406904035 0.424252416 0.463218515 0.522679801 0.558240916 0.566688815 0.601458827 0.634004067 0.675329700 0.681313120 0.741135177 0.755031599 0.757215937 0.765972923 0.774786113 0.782744989 0.785258508 0.789497028 0.802795736 0.811495441 0.819589160 0.821527181 0.825702695 0.846860302 0.850072392 0.853309898 0.868681502 0.892493074 0.895120501 0.900918918 0.913564139 0.918060650 0.920238017 0.924976545 0.972987375 0.976814431 0.995092919 1.377189750 1.484596031</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">79</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.92975214" y3="-1.23615959" z3="1.81427649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.9576426" y3="-1.62836957" z3="1.92103137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.30815669" y3="-2.03927648" z3="1.37680216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.96683651" y3="-0.40429209" z3="1.08528381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.38684442" y3="-0.77077456" z3="3.16336974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.34264954" y3="-0.42077878" z3="3.03925934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.36213396" y3="-1.61903213" z3="3.86769275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.22055562" y3="0.3411697" z3="3.80109179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25607601" y3="-0.02052526" z3="3.92526702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26101723" y3="1.2096432" z3="3.1131086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.697422" y3="0.79246515" z3="5.1600524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22944514" y3="1.70094888" z3="5.51322237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63135076" y3="1.08190545" z3="5.08393948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86458531" y3="-0.24348943" z3="6.27643636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29236598" y3="-0.86657287" z3="8.65709212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26715408" y3="-1.37676666" z3="8.77303042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0907461" y3="-0.35286154" z3="9.62115734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23236424" y3="-1.96173505" z3="8.44649167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48727484" y3="-2.50113959" z3="7.51579182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30133451" y3="-2.69612754" z3="9.27420484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19522814" y3="-1.42696541" z3="8.34966424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.46564531" y3="-0.9227995" z3="9.30041681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.218601" y3="-0.64533315" z3="7.56947259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.25803698" y3="-2.47951267" z3="8.02022338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.23133266" y3="-1.97377011" z3="7.87816297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.01074169" y3="-2.94704006" z3="7.04905746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.42087563" y3="-3.57222202" z3="9.07701256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63358468" y3="-3.13290979" z3="10.06877778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.50666498" y3="-4.18157613" z3="9.17456472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.25188172" y3="-4.25556381" z3="8.82606027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50779748" y3="-1.2945162" z3="6.06027236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39337185" y3="0.15152167" z3="7.55122872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68329508" y3="0.9864793" z3="7.57294313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.40316983" y3="0.96346535" z3="5.90902715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.60568394" y3="1.65072792" z3="5.58648241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.35668418" y3="1.27656113" z3="5.43806034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.14680316" y3="-0.0460585" z3="5.54296271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50282748" y3="0.97590644" z3="7.43222963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7167618" y3="1.99944811" z3="7.78020023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35981909" y3="0.34700416" z3="7.74486371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.23771484" y3="0.45320621" z3="8.13523755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94276762" y3="-0.50569079" z3="7.65732112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.46212032" y3="0.22103794" z3="9.1919885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.06747899" y3="1.45883186" z3="8.1148944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09860465" y3="2.47143665" z3="7.39757409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53595362" y3="1.51055641" z3="9.10058749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9298,-1.2362,1.8143;-3.9576,-1.6284,1.921;-2.3082,-2.0393,1.3768;-2.9668,-.4043,1.0853;-2.3868,-.7708,3.1634;-1.3426,-.4208,3.0393;-2.3621,-1.619,3.8677;-3.2206,.3412,3.8011;-4.2561,-.0205,3.9253;-3.261,1.2096,3.1131;-2.6974,.7925,5.1601;-3.2294,1.7009,5.5132;-1.6314,1.0819,5.0839;-2.8646,-.2435,6.2764;-2.2924,-.8666,8.6571;-3.2672,-1.3768,8.773;-2.0907,-.3529,9.6212;-1.2324,-1.9617,8.4465;-1.4873,-2.5011,7.5158;-1.3013,-2.6961,9.2742;.1952,-1.427,8.3497;.4656,-.9228,9.3004;.2186,-.6453,7.5695;1.258,-2.4795,8.0202;2.2313,-1.9738,7.8782;1.0107,-2.947,7.0491;1.4209,-3.5722,9.077;1.6336,-3.1329,10.0688;.5067,-4.1816,9.1746;2.2519,-4.2556,8.8261;-3.5078,-1.2945,6.0603;-2.3934,.1515,7.5512;-1.6833,.9865,7.5729;-6.4032,.9635,5.909;-5.6057,1.6507,5.5865;-7.3567,1.2766,5.4381;-6.1468,-.0461,5.543;-6.5028,.9759,7.4322;-6.7168,1.9994,7.7802;-7.3598,.347,7.7449;-5.2377,.4532,8.1352;-4.9428,-.5057,7.6573;-5.4621,.221,9.192;-4.0675,1.4588,8.1149;-4.0986,2.4714,7.3976;-3.536,1.5106,9.1006;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724231080727</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007747456087 0.001395006563 0.032437082335 0.008513015768</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.032319968 -0.003807720 0.000151561 0.000224005 0.000355995 0.000588062 0.000680256 0.001383419 0.002031927 0.002507031 0.002879021 0.003584437 0.005307779 0.005756356 0.005875118 0.006738761 0.008334761 0.009385102 0.010448439 0.010974967 0.011960537 0.014040160 0.016679587 0.018291288 0.020880384 0.021802308 0.024472324 0.027406859 0.029985398 0.031850326 0.033601449 0.036965859 0.038799737 0.039567411 0.045166256 0.046551215 0.047724078 0.049079299 0.050208766 0.050784616 0.052553226 0.052709857 0.054455495 0.056426185 0.057862429 0.059119602 0.059481975 0.065679652 0.066294483 0.071998063 0.076234902 0.076347896 0.077080482 0.078179883 0.081557540 0.082426526 0.086540975 0.091169685 0.093084688 0.094435207 0.100012157 0.103124562 0.110001490 0.111970681 0.112894616 0.113469297 0.116942287 0.119178229 0.128192990 0.133056491 0.136473171 0.140248634 0.146136098 0.152932832 0.153756351 0.158120186 0.164575359 0.171116215 0.179791399 0.184521704 0.194523917 0.197650516 0.207764277 0.216771799 0.217896072 0.224952723 0.240080566 0.255223340 0.261816844 0.276976810 0.299337641 0.315887545 0.342035971 0.407013484 0.425667183 0.463228102 0.522686494 0.560056110 0.566800965 0.601461451 0.634035589 0.675336428 0.684276054 0.741218284 0.755075204 0.757218068 0.766402914 0.774786151 0.782775408 0.785268990 0.789498724 0.802816701 0.811502838 0.819611399 0.821671416 0.825704606 0.848470078 0.850095642 0.853309794 0.868701805 0.892498294 0.895176310 0.900964965 0.913570005 0.918095254 0.920237607 0.926710598 0.973649373 0.976813953 0.998337561 1.377189071 1.484622743</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">80</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.93710305" y3="-1.22994984" z3="1.81714952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.96630666" y3="-1.61849737" z3="1.92434617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.31882076" y3="-2.0348744" z3="1.37839742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.97181254" y3="-0.39724867" z3="1.08897813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.39147401" y3="-0.76783928" z3="3.16627554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.34624735" y3="-0.42112925" z3="3.04172092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.36919776" y3="-1.61662688" z3="3.86998573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.22135001" y3="0.34604858" z3="3.80544194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25791071" y3="-0.01255521" z3="3.92882368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25928564" y3="1.2154086" z3="3.11836271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69680852" y3="0.79461224" z3="5.16472732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2253637" y3="1.70499675" z3="5.51816584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62977791" y3="1.08072163" z3="5.08799185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86593339" y3="-0.24177131" z3="6.28110409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29128453" y3="-0.86216543" z3="8.66305119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26844357" y3="-1.36832226" z3="8.78678497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.08044758" y3="-0.34704002" z3="9.62558383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23507553" y3="-1.96119871" z3="8.44647906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49482172" y3="-2.49917461" z3="7.51551265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30274298" y3="-2.69671873" z3="9.27315983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19266818" y3="-1.42763493" z3="8.34672986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.46409147" y3="-0.92369797" z3="9.29677287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.21413852" y3="-0.64611159" z3="7.5663971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.25448583" y3="-2.48011325" z3="8.01555739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.22874784" y3="-1.97518536" z3="7.86948915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="1.00288875" y3="-2.94855068" z3="7.04485705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.41889677" y3="-3.57212323" z3="9.07269017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63886201" y3="-3.13167658" z3="10.06393304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.50147494" y3="-4.17812911" z3="9.17565516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.24683789" y3="-4.25960991" z3="8.81732614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50550967" y3="-1.29446052" z3="6.06401025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.394574" y3="0.15429622" z3="7.55551584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68590513" y3="0.9906739" z3="7.57681898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.38515265" y3="0.93898933" z3="5.90070874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58469767" y3="1.62101087" z3="5.57249071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.33063545" y3="1.24943729" z3="5.42165699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.12324622" y3="-0.07849559" z3="5.55144244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49440059" y3="0.96995901" z3="7.42630218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7073009" y3="2.00665513" z3="7.75586782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35578652" y3="0.34684675" z3="7.73754102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.24224241" y3="0.4570745" z3="8.13195866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94843015" y3="-0.49831165" z3="7.66628099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.4822469" y3="0.23941842" z3="9.1955204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07053651" y3="1.46024802" z3="8.11916936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.09810989" y3="2.47475006" z3="7.40529066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53807842" y3="1.50852126" z3="9.10586286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9371,-1.2299,1.8171;-3.9663,-1.6185,1.9243;-2.3188,-2.0349,1.3784;-2.9718,-.3972,1.089;-2.3915,-.7678,3.1663;-1.3462,-.4211,3.0417;-2.3692,-1.6166,3.87;-3.2214,.346,3.8054;-4.2579,-.0126,3.9288;-3.2593,1.2154,3.1184;-2.6968,.7946,5.1647;-3.2254,1.705,5.5182;-1.6298,1.0807,5.088;-2.8659,-.2418,6.2811;-2.2913,-.8622,8.6631;-3.2684,-1.3683,8.7868;-2.0804,-.347,9.6256;-1.2351,-1.9612,8.4465;-1.4948,-2.4992,7.5155;-1.3027,-2.6967,9.2732;.1927,-1.4276,8.3467;.4641,-.9237,9.2968;.2141,-.6461,7.5664;1.2545,-2.4801,8.0156;2.2287,-1.9752,7.8695;1.0029,-2.9486,7.0449;1.4189,-3.5721,9.0727;1.6389,-3.1317,10.0639;.5015,-4.1781,9.1757;2.2468,-4.2596,8.8173;-3.5055,-1.2945,6.064;-2.3946,.1543,7.5555;-1.6859,.9907,7.5768;-6.3852,.939,5.9007;-5.5847,1.621,5.5725;-7.3306,1.2494,5.4217;-6.1232,-.0785,5.5514;-6.4944,.97,7.4263;-6.7073,2.0067,7.7559;-7.3558,.3468,7.7375;-5.2422,.4571,8.132;-4.9484,-.4983,7.6663;-5.4822,.2394,9.1955;-4.0705,1.4602,8.1192;-4.0981,2.4748,7.4053;-3.5381,1.5085,9.1059;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724265666926</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009012861590 0.001487669989 0.033242927700 0.008512539397</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.032524075 -0.004756213 0.000151805 0.000225302 0.000359737 0.000604526 0.000682884 0.001392518 0.002032510 0.002556040 0.002879118 0.003584837 0.005633518 0.005869019 0.005882657 0.006775173 0.008571051 0.009388239 0.010498712 0.010974882 0.012242150 0.014072899 0.016702237 0.018374194 0.020917345 0.021863272 0.024480601 0.027416249 0.029991148 0.031875354 0.033608089 0.036970164 0.039227207 0.039599659 0.045171144 0.046550715 0.047731842 0.049084971 0.050208249 0.050791841 0.052629708 0.052715391 0.054515245 0.056687322 0.057921593 0.059188691 0.061142646 0.065726008 0.066295373 0.072001615 0.076225412 0.076339812 0.077086634 0.078187157 0.081558483 0.082597841 0.086541937 0.091169702 0.093150194 0.094548791 0.100011998 0.103133595 0.110059039 0.112090074 0.112901087 0.113472653 0.117991338 0.119178149 0.128210062 0.133811481 0.136474853 0.140248356 0.146161055 0.153170695 0.153867644 0.158352398 0.164560589 0.171139406 0.179871694 0.184522008 0.194553252 0.198904390 0.208291587 0.216778350 0.217894067 0.224943804 0.240074576 0.255927797 0.261816240 0.277811559 0.299367894 0.315918403 0.342051469 0.407015013 0.426949318 0.463380308 0.522696561 0.561132612 0.566798526 0.601473155 0.634111896 0.675430236 0.685794567 0.741263055 0.755080847 0.757218258 0.766435125 0.774837125 0.782832227 0.785277855 0.789508295 0.802836320 0.811520087 0.819617432 0.821673534 0.825704610 0.850058884 0.850611141 0.853314654 0.868708882 0.892498328 0.895178926 0.901128931 0.913595278 0.918127672 0.920238272 0.930657598 0.974231982 0.976819574 1.003086131 1.377239619 1.484650054</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">81</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.94475361" y3="-1.22492784" z3="1.81998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.97540732" y3="-1.60947285" z3="1.92755554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.33011174" y3="-2.0317737" z3="1.37967187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.97681642" y3="-0.39118515" z3="1.09285084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.39615438" y3="-0.76658598" z3="3.1691981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.34979079" y3="-0.42351911" z3="3.04403405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.37635863" y3="-1.61618442" z3="3.87201579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.22156365" y3="0.34962833" z3="3.81013619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25954896" y3="-0.00514909" z3="3.9334605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25680307" y3="1.21971556" z3="3.12375526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69436696" y3="0.79619189" z3="5.16926769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21986758" y3="1.70828031" z3="5.5224066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62654154" y3="1.07881539" z3="5.09103825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86390958" y3="-0.23923159" z3="6.28674378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29130217" y3="-0.8585934" z3="8.6676195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26298877" y3="-1.36618389" z3="8.78454287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.08838067" y3="-0.34746335" z3="9.62836275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.23763245" y3="-1.95696655" z3="8.45162197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50150966" y3="-2.4931885" z3="7.52092813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3041054" y3="-2.69342259" z3="9.27750337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.19139109" y3="-1.42601261" z3="8.34482865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.47012641" y3="-0.92086019" z3="9.2939753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.21071806" y3="-0.64559734" z3="7.56320232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.24923336" y3="-2.48270312" z3="8.00786865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.22498831" y3="-1.98059599" z3="7.85479135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.99022798" y3="-2.95325755" z3="7.03918898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.41624346" y3="-3.57260699" z3="9.06700255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6384482" y3="-3.13101575" z3="10.05600425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.49996958" y3="-4.17775755" z3="9.17364048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.24243607" y3="-4.25994171" z3="8.81147009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50514213" y3="-1.29227784" z3="6.07049035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39133976" y3="0.15663588" z3="7.55952655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.68709819" y3="0.99637433" z3="7.58188146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.36558689" y3="0.91984682" z3="5.89057636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56616267" y3="1.60301893" z3="5.56843328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.31369696" y3="1.21619436" z3="5.3939956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.09552025" y3="-0.09332989" z3="5.55207319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49301521" y3="0.96771299" z3="7.40979141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70884078" y3="2.00321982" z3="7.72718493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35797702" y3="0.34904032" z3="7.72469129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.24387277" y3="0.46133403" z3="8.14582691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93961173" y3="-0.50755438" z3="7.69640265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.48743528" y3="0.25422311" z3="9.2003218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07462295" y3="1.46706967" z3="8.12781617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10184392" y3="2.47978763" z3="7.41327045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53807146" y3="1.51072577" z3="9.11094015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9448,-1.2249,1.82;-3.9754,-1.6095,1.9276;-2.3301,-2.0318,1.3797;-2.9768,-.3912,1.0929;-2.3962,-.7666,3.1692;-1.3498,-.4235,3.044;-2.3764,-1.6162,3.872;-3.2216,.3496,3.8101;-4.2595,-.0051,3.9335;-3.2568,1.2197,3.1238;-2.6944,.7962,5.1693;-3.2199,1.7083,5.5224;-1.6265,1.0788,5.091;-2.8639,-.2392,6.2867;-2.2913,-.8586,8.6676;-3.263,-1.3662,8.7845;-2.0884,-.3475,9.6284;-1.2376,-1.957,8.4516;-1.5015,-2.4932,7.5209;-1.3041,-2.6934,9.2775;.1914,-1.426,8.3448;.4701,-.9209,9.294;.2107,-.6456,7.5632;1.2492,-2.4827,8.0079;2.225,-1.9806,7.8548;.9902,-2.9533,7.0392;1.4162,-3.5726,9.067;1.6384,-3.131,10.056;.5,-4.1778,9.1736;2.2424,-4.2599,8.8115;-3.5051,-1.2923,6.0705;-2.3913,.1566,7.5595;-1.6871,.9964,7.5819;-6.3656,.9198,5.8906;-5.5662,1.603,5.5684;-7.3137,1.2162,5.394;-6.0955,-.0933,5.5521;-6.493,.9677,7.4098;-6.7088,2.0032,7.7272;-7.358,.349,7.7247;-5.2439,.4613,8.1458;-4.9396,-.5076,7.6964;-5.4874,.2542,9.2003;-4.0746,1.4671,8.1278;-4.1018,2.4798,7.4133;-3.5381,1.5107,9.1109;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724290814592</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011472423261 0.001640854049 0.032783468513 0.008511921317</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.032734984 -0.004791542 0.000169767 0.000225191 0.000359734 0.000609089 0.000683246 0.001391463 0.002032654 0.002582179 0.002879581 0.003594570 0.005725919 0.005874728 0.006142542 0.006936493 0.008709229 0.009433521 0.010498295 0.010977582 0.012716417 0.014072918 0.016701224 0.018449656 0.020919894 0.021976840 0.024489355 0.027427212 0.029991876 0.032011065 0.033609708 0.036983768 0.039221427 0.039594949 0.045170337 0.046555186 0.047760268 0.049110956 0.050210425 0.050801251 0.052711390 0.052743253 0.054571071 0.056931597 0.057972813 0.059188257 0.062807662 0.065819447 0.066299850 0.072055322 0.076217600 0.076346584 0.077111222 0.078190261 0.081557818 0.082750808 0.086600724 0.091170791 0.093268691 0.094838169 0.100012456 0.103147815 0.110052191 0.112100108 0.112906082 0.113476460 0.118888066 0.119182209 0.128258356 0.134615574 0.136536186 0.140252280 0.146176410 0.153375399 0.154122880 0.158835547 0.164564927 0.171348265 0.180005554 0.184524713 0.194580470 0.200187750 0.208414226 0.216789288 0.217901573 0.225049899 0.240069309 0.256262987 0.261815755 0.279685677 0.299733561 0.315936319 0.342253716 0.407031221 0.427865027 0.463983171 0.522711993 0.561396733 0.566854484 0.601474307 0.634525693 0.675650429 0.686276868 0.741825517 0.755087129 0.757231273 0.766543485 0.774931870 0.782834666 0.785278040 0.789514787 0.802838894 0.811528761 0.819645512 0.821672495 0.825709166 0.850093108 0.852536905 0.853356692 0.868793893 0.892508104 0.895214458 0.901238042 0.913652366 0.918126794 0.920237774 0.935799131 0.974383478 0.976819808 1.010593279 1.377451213 1.484656160</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">82</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.95075201" y3="-1.21991995" z3="1.82219127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.98285794" y3="-1.60050023" z3="1.93016197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.33977454" y3="-2.02850117" z3="1.38000113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.9802547" y3="-0.3849301" z3="1.09638422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.39917314" y3="-0.76562889" z3="3.1716055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.35167336" y3="-0.42624803" z3="3.04599354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.38207903" y3="-1.61612597" z3="3.87341123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.22017469" y3="0.35282493" z3="3.81416534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25914759" y3="0.00137989" z3="3.93745674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25310922" y3="1.22345353" z3="3.12841914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69095746" y3="0.79728628" z3="5.17309469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21213384" y3="1.71182911" z3="5.52615375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62195436" y3="1.07546502" z3="5.09417115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86346009" y3="-0.23740508" z3="6.29091227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29146541" y3="-0.85564628" z3="8.67195827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2714244" y3="-1.35807462" z3="8.80226522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.07338571" y3="-0.34049176" z3="9.63437999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.24031579" y3="-1.95710653" z3="8.449819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50766712" y3="-2.49278104" z3="7.52067308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30466444" y3="-2.69184076" z3="9.27779273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18768935" y3="-1.42658331" z3="8.33932246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.46780605" y3="-0.92262231" z3="9.28703316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.20529092" y3="-0.64507802" z3="7.55901035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.24379217" y3="-2.48211007" z3="8.00124596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.21640271" y3="-1.9794961" z3="7.84894042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.98581318" y3="-2.95041957" z3="7.03396572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.41319049" y3="-3.57225567" z3="9.05939473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63980418" y3="-3.12974772" z3="10.04755976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.49595573" y3="-4.17601741" z3="9.16991531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.23787064" y3="-4.26157487" z3="8.80124039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50010629" y3="-1.29239473" z3="6.07395162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.39430027" y3="0.15994444" z3="7.5644417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69054459" y3="1.00025678" z3="7.58814134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.34850298" y3="0.8994607" z3="5.88126488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54676676" y3="1.57992487" z3="5.55245449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.28715694" y3="1.19284861" z3="5.37863008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.07211558" y3="-0.12611336" z3="5.5617792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48735602" y3="0.96538376" z3="7.4027816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70467805" y3="2.00545232" z3="7.70535467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35570647" y3="0.35150182" z3="7.71170698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.24772092" y3="0.46434152" z3="8.1494628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94394158" y3="-0.50404716" z3="7.71421787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.51094491" y3="0.27326104" z3="9.21487716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07666191" y3="1.46720978" z3="8.13378371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10490598" y3="2.48067782" z3="7.41934747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.53975013" y3="1.51161467" z3="9.1170542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9508,-1.2199,1.8222;-3.9829,-1.6005,1.9302;-2.3398,-2.0285,1.38;-2.9803,-.3849,1.0964;-2.3992,-.7656,3.1716;-1.3517,-.4262,3.046;-2.3821,-1.6161,3.8734;-3.2202,.3528,3.8142;-4.2591,.0014,3.9375;-3.2531,1.2235,3.1284;-2.691,.7973,5.1731;-3.2121,1.7118,5.5262;-1.622,1.0755,5.0942;-2.8635,-.2374,6.2909;-2.2915,-.8556,8.672;-3.2714,-1.3581,8.8023;-2.0734,-.3405,9.6344;-1.2403,-1.9571,8.4498;-1.5077,-2.4928,7.5207;-1.3047,-2.6918,9.2778;.1877,-1.4266,8.3393;.4678,-.9226,9.287;.2053,-.6451,7.559;1.2438,-2.4821,8.0012;2.2164,-1.9795,7.8489;.9858,-2.9504,7.034;1.4132,-3.5723,9.0594;1.6398,-3.1297,10.0476;.496,-4.176,9.1699;2.2379,-4.2616,8.8012;-3.5001,-1.2924,6.074;-2.3943,.1599,7.5644;-1.6905,1.0003,7.5881;-6.3485,.8995,5.8813;-5.5468,1.5799,5.5525;-7.2872,1.1928,5.3786;-6.0721,-.1261,5.5618;-6.4874,.9654,7.4028;-6.7047,2.0055,7.7054;-7.3557,.3515,7.7117;-5.2477,.4643,8.1495;-4.9439,-.504,7.7142;-5.5109,.2733,9.2149;-4.0767,1.4672,8.1338;-4.1049,2.4807,7.4193;-3.5398,1.5116,9.1171;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724328501657</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008816365731 0.001457770383 0.032092818953 0.008513291308</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.032621796 -0.003798234 0.000175718 0.000225263 0.000367901 0.000612867 0.000688979 0.001403426 0.002038408 0.002581337 0.002879860 0.003601549 0.005727907 0.005873262 0.006180316 0.006980854 0.008756878 0.009463972 0.010558400 0.010977324 0.013033155 0.014137458 0.016711448 0.018445303 0.020980717 0.021964578 0.024554069 0.027426207 0.029992375 0.032088950 0.033611743 0.037060503 0.039292883 0.039634244 0.045181668 0.046560078 0.047812533 0.049213673 0.050215534 0.050807236 0.052710862 0.052840675 0.054591520 0.057071586 0.058025660 0.059188223 0.063369033 0.065949667 0.066304879 0.072236965 0.076244422 0.076373357 0.077127464 0.078200107 0.081556492 0.082818991 0.086794233 0.091186482 0.093383127 0.095224041 0.100016043 0.103180193 0.110184857 0.112131940 0.112905039 0.113477358 0.119110053 0.119239132 0.128296074 0.134812968 0.136637516 0.140262022 0.146183690 0.153459546 0.154398623 0.159195488 0.164807308 0.171549879 0.180118440 0.184527110 0.194626514 0.200981388 0.208435364 0.216799103 0.218028725 0.225791843 0.240108534 0.256272963 0.261816403 0.283979927 0.300243402 0.315977686 0.342563629 0.407028949 0.428402778 0.464548942 0.522714105 0.561654316 0.567050057 0.601560246 0.635016032 0.675809449 0.686276250 0.742606861 0.755116195 0.757245236 0.767597289 0.775005448 0.782845994 0.785289818 0.789516631 0.802839258 0.811532106 0.819643936 0.821844359 0.825722870 0.850097554 0.853030502 0.853488365 0.868944687 0.892508000 0.895213157 0.901837235 0.913757917 0.918126494 0.920237695 0.939402885 0.974524688 0.976819657 1.016185288 1.377619206 1.484657927</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">83</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.95618649" y3="-1.21555331" z3="1.82569323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.99015513" y3="-1.5911505" z3="1.93415684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.34970949" y3="-2.02657457" z3="1.38160185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.98238721" y3="-0.37932403" z3="1.101148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.40107911" y3="-0.76570311" z3="3.17524174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.35198162" y3="-0.43120364" z3="3.04918284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.38763501" y3="-1.61707999" z3="3.87609121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.21694476" y3="0.35577497" z3="3.81917576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25740988" y3="0.00860493" z3="3.94089262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24594663" y3="1.22726869" z3="3.13419611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6866548" y3="0.79728427" z3="5.17876769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20245077" y3="1.71519018" z3="5.53145771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61590822" y3="1.06907213" z3="5.10043686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86472377" y3="-0.23556051" z3="6.29756857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29290089" y3="-0.84885078" z3="8.68168758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26765469" y3="-1.35210497" z3="8.81455546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.07317693" y3="-0.33554315" z3="9.64036191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.24522615" y3="-1.95225384" z3="8.45284158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52026297" y3="-2.48668594" z3="7.52366745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30656891" y3="-2.68907276" z3="9.27864787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18339215" y3="-1.42426094" z3="8.33566648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.46782472" y3="-0.92036941" z3="9.282313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.19809749" y3="-0.64360149" z3="7.55419003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.23679157" y3="-2.48165402" z3="7.99236948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.21223553" y3="-1.98143265" z3="7.8308986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.96863696" y3="-2.95216397" z3="7.02588492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4100363" y3="-3.57111051" z3="9.05071445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64480502" y3="-3.12868714" z3="10.03752544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.49108314" y3="-4.17175039" z3="9.16734528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.2310186" y3="-4.26338583" z3="8.786789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49827484" y3="-1.29214733" z3="6.0796983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.40121451" y3="0.16603263" z3="7.57298946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69674226" y3="1.00588734" z3="7.59430973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32899573" y3="0.8762134" z3="5.87544457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.52678419" y3="1.55585362" z3="5.55075838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2674608" y3="1.1607558" z3="5.35533684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.04794551" y3="-0.14103585" z3="5.56427395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48333534" y3="0.95929191" z3="7.39255545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.69952024" y3="2.0065163" z3="7.67889054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35532318" y3="0.35030392" z3="7.7039666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25266768" y3="0.46988668" z3="8.15578189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9448282" y3="-0.50762327" z3="7.73362386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.51428644" y3="0.28503181" z3="9.20965463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07793682" y3="1.46993098" z3="8.1390912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10391229" y3="2.48448343" z3="7.42612633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54369884" y3="1.51295716" z3="9.12431696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9562,-1.2156,1.8257;-3.9902,-1.5912,1.9342;-2.3497,-2.0266,1.3816;-2.9824,-.3793,1.1011;-2.4011,-.7657,3.1752;-1.352,-.4312,3.0492;-2.3876,-1.6171,3.8761;-3.2169,.3558,3.8192;-4.2574,.0086,3.9409;-3.2459,1.2273,3.1342;-2.6867,.7973,5.1788;-3.2025,1.7152,5.5315;-1.6159,1.0691,5.1004;-2.8647,-.2356,6.2976;-2.2929,-.8489,8.6817;-3.2677,-1.3521,8.8146;-2.0732,-.3355,9.6404;-1.2452,-1.9523,8.4528;-1.5203,-2.4867,7.5237;-1.3066,-2.6891,9.2786;.1834,-1.4243,8.3357;.4678,-.9204,9.2823;.1981,-.6436,7.5542;1.2368,-2.4817,7.9924;2.2122,-1.9814,7.8309;.9686,-2.9522,7.0259;1.41,-3.5711,9.0507;1.6448,-3.1287,10.0375;.4911,-4.1718,9.1673;2.231,-4.2634,8.7868;-3.4983,-1.2921,6.0797;-2.4012,.166,7.573;-1.6967,1.0059,7.5943;-6.329,.8762,5.8754;-5.5268,1.5559,5.5508;-7.2675,1.1608,5.3553;-6.0479,-.141,5.5643;-6.4833,.9593,7.3926;-6.6995,2.0065,7.6789;-7.3553,.3503,7.704;-5.2527,.4699,8.1558;-4.9448,-.5076,7.7336;-5.5143,.285,9.2097;-4.0779,1.4699,8.1391;-4.1039,2.4845,7.4261;-3.5437,1.513,9.1243;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724349305336</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007848283455 0.001396547373 0.028889230725 0.008512754758</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.032822270 -0.004202516 0.000198463 0.000225434 0.000367245 0.000610921 0.000689927 0.001410376 0.002044761 0.002615585 0.002879864 0.003602708 0.005730273 0.005876110 0.006188137 0.007016836 0.008749705 0.009472870 0.010784155 0.010979061 0.013026789 0.014165876 0.016711831 0.018463263 0.021096239 0.021996261 0.024634179 0.027430923 0.030003040 0.032091504 0.033612402 0.037252479 0.039444791 0.039924433 0.045223898 0.046574040 0.047843398 0.049283777 0.050218185 0.050810608 0.052710467 0.052912397 0.054586694 0.057132888 0.058035086 0.059194626 0.063484527 0.065985597 0.066309384 0.072330338 0.076243715 0.076361008 0.077124926 0.078210323 0.081555000 0.082868102 0.086873730 0.091216383 0.093419816 0.095567919 0.100025751 0.103230987 0.110397182 0.112408641 0.112909819 0.113479643 0.119128946 0.119317542 0.128297632 0.134961245 0.136727988 0.140272329 0.146201686 0.153503227 0.154732560 0.159224589 0.165404429 0.171637970 0.180122703 0.184527565 0.194762909 0.201365921 0.209239197 0.216811077 0.218171354 0.227040953 0.240100206 0.256269085 0.261818657 0.288522965 0.300501852 0.315977644 0.342599339 0.407083613 0.428449122 0.464549194 0.522717197 0.563611103 0.567287733 0.601711906 0.635108388 0.675840817 0.686279823 0.742734426 0.755143482 0.757247730 0.769270108 0.775014055 0.782933926 0.785329474 0.789520977 0.802862814 0.811532255 0.819654834 0.821848373 0.825727994 0.850097505 0.853080387 0.853533847 0.868988067 0.892513238 0.895251162 0.902473033 0.913827600 0.918134922 0.920237114 0.942570968 0.974671496 0.976832745 1.020285828 1.377709014 1.484659234</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">84</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.95998238" y3="-1.21224992" z3="1.83023876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.99557545" y3="-1.58297976" z3="1.93963477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.35795419" y3="-2.02562337" z3="1.38463233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.98317625" y3="-0.37520066" z3="1.10655576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.4014547" y3="-0.76606346" z3="3.17957243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.35100025" y3="-0.43634317" z3="3.05293312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39158103" y3="-1.61779135" z3="3.88000911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.21216625" y3="0.35876134" z3="3.82387704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25422987" y3="0.01604951" z3="3.9444523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23705728" y3="1.23052998" z3="3.13916874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68149476" y3="0.79851685" z3="5.18383576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.1941893" y3="1.71830584" z3="5.5351536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60970978" y3="1.06578607" z3="5.10650529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86368428" y3="-0.23251358" z3="6.30346733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29491787" y3="-0.84486516" z3="8.68714526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26898872" y3="-1.34799549" z3="8.82015127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.07629221" y3="-0.33196729" z3="9.64512778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.24873688" y3="-1.94751569" z3="8.45965952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52617728" y3="-2.48422851" z3="7.53432047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30708697" y3="-2.68166537" z3="9.28855064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.18105984" y3="-1.42206133" z3="8.33156317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.47686825" y3="-0.91669799" z3="9.27629787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.19241783" y3="-0.64251794" z3="7.54890633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.2293821" y3="-2.48364436" z3="7.98002586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.20400001" y3="-1.98565996" z3="7.81316486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.95546108" y3="-2.95366904" z3="7.01619882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.40736965" y3="-3.57260154" z3="9.03827949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64328933" y3="-3.13027735" z3="10.02332891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.49122411" y3="-4.17474576" z3="9.15791539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.22810415" y3="-4.2624471" z3="8.77392693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49669244" y3="-1.28902872" z3="6.08526671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.40330449" y3="0.17063852" z3="7.57972839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.69883893" y3="1.01049699" z3="7.6010071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31536606" y3="0.86100234" z3="5.8657603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.51237955" y3="1.53988027" z3="5.53788475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24674541" y3="1.13568996" z3="5.34247847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.0267586" y3="-0.16992508" z3="5.57315594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48031666" y3="0.95723397" z3="7.37833854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70125175" y3="2.00117539" z3="7.65571549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35582471" y3="0.35117141" z3="7.68648228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25307498" y3="0.47102013" z3="8.16184909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94477598" y3="-0.50736778" z3="7.75466524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53612339" y3="0.30409882" z3="9.22796074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07921521" y3="1.47228223" z3="8.14384082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10880876" y3="2.48661551" z3="7.42933244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54821255" y3="1.51884782" z3="9.12982304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.96,-1.2122,1.8302;-3.9956,-1.583,1.9396;-2.358,-2.0256,1.3846;-2.9832,-.3752,1.1066;-2.4015,-.7661,3.1796;-1.351,-.4363,3.0529;-2.3916,-1.6178,3.88;-3.2122,.3588,3.8239;-4.2542,.016,3.9445;-3.2371,1.2305,3.1392;-2.6815,.7985,5.1838;-3.1942,1.7183,5.5352;-1.6097,1.0658,5.1065;-2.8637,-.2325,6.3035;-2.2949,-.8449,8.6871;-3.269,-1.348,8.8202;-2.0763,-.332,9.6451;-1.2487,-1.9475,8.4597;-1.5262,-2.4842,7.5343;-1.3071,-2.6817,9.2886;.1811,-1.4221,8.3316;.4769,-.9167,9.2763;.1924,-.6425,7.5489;1.2294,-2.4836,7.98;2.204,-1.9857,7.8132;.9555,-2.9537,7.0162;1.4074,-3.5726,9.0383;1.6433,-3.1303,10.0233;.4912,-4.1747,9.1579;2.2281,-4.2624,8.7739;-3.4967,-1.289,6.0853;-2.4033,.1706,7.5797;-1.6988,1.0105,7.601;-6.3154,.861,5.8658;-5.5124,1.5399,5.5379;-7.2467,1.1357,5.3425;-6.0268,-.1699,5.5732;-6.4803,.9572,7.3783;-6.7013,2.0012,7.6557;-7.3558,.3512,7.6865;-5.2531,.471,8.1618;-4.9448,-.5074,7.7547;-5.5361,.3041,9.228;-4.0792,1.4723,8.1438;-4.1088,2.4866,7.4293;-3.5482,1.5188,9.1298;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724316814704</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008127254185 0.001753498434 0.029203993315 0.008511810294</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.033290819 -0.006340024 0.000221944 0.000235025 0.000368873 0.000616201 0.000689318 0.001406693 0.002045289 0.002635236 0.002879962 0.003603209 0.005737258 0.005877052 0.006331853 0.007449736 0.008746643 0.009536269 0.010944665 0.011205930 0.013054918 0.014209598 0.016723609 0.018515467 0.021083088 0.022151164 0.024632431 0.027464714 0.030030149 0.032190994 0.033611918 0.037343963 0.039506265 0.040724420 0.045327488 0.046569569 0.047890255 0.049296754 0.050218488 0.050815514 0.052713300 0.052901173 0.054694690 0.057128642 0.058039359 0.059193835 0.063479996 0.065997746 0.066310383 0.072332018 0.076247131 0.076421746 0.077169602 0.078248897 0.081555902 0.082930598 0.086908077 0.091270062 0.093432084 0.095830079 0.100025750 0.103383203 0.110471368 0.112729490 0.113009346 0.113539954 0.119152718 0.119449949 0.128299219 0.135294102 0.136809922 0.140279352 0.146238619 0.153528980 0.155188354 0.159231576 0.166372053 0.171626324 0.180122155 0.184527913 0.195010264 0.201395249 0.211026973 0.216842972 0.218526442 0.229677539 0.240191978 0.256275208 0.261819575 0.294055327 0.300483836 0.316141715 0.342618912 0.407397892 0.428447235 0.464955272 0.522720895 0.566466420 0.569135860 0.601901954 0.635143925 0.675867410 0.686278356 0.742780053 0.755165421 0.757248603 0.771104539 0.775041678 0.782975509 0.785342948 0.789525421 0.802902006 0.811531811 0.819653007 0.821852355 0.825727937 0.850106135 0.853104804 0.853595230 0.868997281 0.892547283 0.895472816 0.903116556 0.913831114 0.918140911 0.920236694 0.946428655 0.975126755 0.976869788 1.023905386 1.377831156 1.484673520</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">85</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.96043701" y3="-1.21001692" z3="1.83451429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.99753265" y3="-1.57621639" z3="1.94428608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.36220551" y3="-2.02581829" z3="1.38842631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.98033726" y3="-0.37260381" z3="1.11116451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.3998055" y3="-0.76653758" z3="3.18376672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.34799396" y3="-0.44127966" z3="3.0571307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39361713" y3="-1.6183145" z3="3.88416487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20634869" y3="0.36156822" z3="3.82746237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.2502066" y3="0.02369995" z3="3.94579331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22606077" y3="1.23374818" z3="3.14306506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67670962" y3="0.798725" z3="5.1885932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18603465" y3="1.72057187" z3="5.54065154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60359898" y3="1.06179957" z3="5.11378161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86554173" y3="-0.23068632" z3="6.30803921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29799551" y3="-0.83863219" z3="8.69516237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27756178" y3="-1.33794894" z3="8.84416663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.06238702" y3="-0.32120611" z3="9.65253818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.2531673" y3="-1.94480114" z3="8.45917284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53742079" y3="-2.4851219" z3="7.53701605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30716607" y3="-2.6750793" z3="9.29192963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1754787" y3="-1.42109518" z3="8.32427814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.47260199" y3="-0.91777311" z3="9.26624568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.18447104" y3="-0.64057875" z3="7.54289733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.22112075" y3="-2.48169495" z3="7.97019071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.19348227" y3="-1.98353712" z3="7.80176733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.94545644" y3="-2.94907764" z3="7.00717344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4034948" y3="-3.57269317" z3="9.02529716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64926542" y3="-3.13082379" z3="10.01013807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.48510209" y3="-4.17285011" z3="9.15120789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.22149175" y3="-4.26580334" z3="8.75255886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49243606" y3="-1.28966658" z3="6.08878736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41596404" y3="0.17797299" z3="7.58825802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7068638" y3="1.01424211" z3="7.60786579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29837261" y3="0.83750371" z3="5.86172846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.49734839" y3="1.51759603" z3="5.53581237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.23100076" y3="1.10648597" z3="5.31724662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00582555" y3="-0.18416901" z3="5.57685654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.47804635" y3="0.95472806" z3="7.3788753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.69860923" y3="2.00972676" z3="7.6384761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3550338" y3="0.35263825" z3="7.68530716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26204284" y3="0.47700352" z3="8.16996205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95384467" y3="-0.51390561" z3="7.7756338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54092459" y3="0.31603312" z3="9.22474948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07822775" y3="1.46940552" z3="8.14397135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.10630338" y3="2.482919" z3="7.42733306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55296174" y3="1.52201982" z3="9.1344447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9604,-1.21,1.8345;-3.9975,-1.5762,1.9443;-2.3622,-2.0258,1.3884;-2.9803,-.3726,1.1112;-2.3998,-.7665,3.1838;-1.348,-.4413,3.0571;-2.3936,-1.6183,3.8842;-3.2063,.3616,3.8275;-4.2502,.0237,3.9458;-3.2261,1.2337,3.1431;-2.6767,.7987,5.1886;-3.186,1.7206,5.5407;-1.6036,1.0618,5.1138;-2.8655,-.2307,6.308;-2.298,-.8386,8.6952;-3.2776,-1.3379,8.8442;-2.0624,-.3212,9.6525;-1.2532,-1.9448,8.4592;-1.5374,-2.4851,7.537;-1.3072,-2.6751,9.2919;.1755,-1.4211,8.3243;.4726,-.9178,9.2662;.1845,-.6406,7.5429;1.2211,-2.4817,7.9702;2.1935,-1.9835,7.8018;.9455,-2.9491,7.0072;1.4035,-3.5727,9.0253;1.6493,-3.1308,10.0101;.4851,-4.1729,9.1512;2.2215,-4.2658,8.7526;-3.4924,-1.2897,6.0888;-2.416,.178,7.5883;-1.7069,1.0142,7.6079;-6.2984,.8375,5.8617;-5.4973,1.5176,5.5358;-7.231,1.1065,5.3172;-6.0058,-.1842,5.5769;-6.478,.9547,7.3789;-6.6986,2.0097,7.6385;-7.355,.3526,7.6853;-5.262,.477,8.17;-4.9538,-.5139,7.7756;-5.5409,.316,9.2247;-4.0782,1.4694,8.144;-4.1063,2.4829,7.4273;-3.553,1.522,9.1344;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724293510322</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011173966329 0.001986019880 0.027656948328 0.008512731687</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.035169084 -0.005917970 0.000227636 0.000245831 0.000376003 0.000617905 0.000695701 0.001424394 0.002047663 0.002638992 0.002881478 0.003603303 0.005745643 0.005900426 0.006372265 0.007845809 0.008754504 0.009580342 0.010943103 0.011289281 0.013134998 0.014780770 0.016857006 0.018522524 0.021141785 0.022169572 0.024638912 0.027459038 0.030047059 0.032380246 0.033633109 0.037359578 0.039523025 0.041174735 0.045421173 0.046585845 0.047918557 0.049335320 0.050228568 0.050835797 0.052713882 0.052926428 0.055017024 0.057127547 0.058127783 0.059200579 0.063476060 0.065999339 0.066310335 0.072394662 0.076279058 0.076676067 0.077272150 0.078283007 0.081561221 0.083082848 0.086908799 0.091291086 0.093430902 0.095938299 0.100036463 0.103945162 0.110467482 0.112740224 0.113078806 0.113653910 0.119181182 0.119773757 0.128314551 0.136062819 0.137047960 0.140280099 0.146375921 0.153537045 0.155576674 0.159298701 0.167774566 0.171650069 0.180128942 0.184527946 0.195142182 0.201393670 0.213144022 0.216881801 0.219013810 0.232704868 0.240323071 0.256277504 0.261822429 0.297618078 0.300712536 0.316857434 0.342927868 0.407706832 0.428518062 0.466021613 0.522733435 0.566901387 0.575286117 0.601920674 0.635504095 0.676035190 0.686523275 0.743781028 0.755169407 0.757281110 0.772528684 0.775080322 0.782973736 0.785342518 0.789537432 0.802973153 0.811532560 0.819704030 0.822534169 0.825750636 0.850124484 0.853140388 0.853680567 0.869090044 0.892584852 0.895850210 0.904278115 0.913831385 0.918152025 0.920236274 0.953552366 0.975542136 0.977011748 1.026933698 1.378186284 1.484686322</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">86</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.96056198" y3="-1.20830263" z3="1.8415343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.99978145" y3="-1.56884081" z3="1.95141358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.36670748" y3="-2.02763476" z3="1.39574793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.9760335" y3="-0.37101026" z3="1.1178341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.39803496" y3="-0.76701006" z3="3.19081209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.34451152" y3="-0.4469653" z3="3.06454006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39652166" y3="-1.61847266" z3="3.8916631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20032726" y3="0.36508485" z3="3.83283568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24600431" y3="0.03214274" z3="3.94757457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21399872" y3="1.23732958" z3="3.14825486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67310187" y3="0.80054676" z3="5.1955484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.1800595" y3="1.72463573" z3="5.54486567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59875614" y3="1.05964115" z3="5.12312309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86669918" y3="-0.22757077" z3="6.31608694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29670435" y3="-0.83217707" z3="8.70506352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26974232" y3="-1.33183772" z3="8.85158582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0652956" y3="-0.31607702" z3="9.65748503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.25644054" y3="-1.9413693" z3="8.46900677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54824708" y3="-2.48426893" z3="7.54985373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30616845" y3="-2.67020207" z3="9.30269676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1725532" y3="-1.42067056" z3="8.32208865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.47900632" y3="-0.91625431" z3="9.2620808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17553195" y3="-0.64211248" z3="7.53818175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.21439319" y3="-2.48331505" z3="7.95832889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.18939465" y3="-1.98773385" z3="7.77963587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.92600242" y3="-2.95083469" z3="6.99582266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.4021389" y3="-3.57614926" z3="9.01071708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6534618" y3="-3.13813021" z3="9.99453716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.48435554" y3="-4.17472873" z3="9.13978032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.21688184" y3="-4.26936686" z3="8.73192459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49626182" y3="-1.28483748" z3="6.09683592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41448508" y3="0.18138834" z3="7.59539983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70731242" y3="1.01928108" z3="7.6125967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29273276" y3="0.82251252" z3="5.85423467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.49027786" y3="1.5019352" z3="5.5250513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2176196" y3="1.07882902" z3="5.31285396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99189425" y3="-0.2056634" z3="5.58253332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.47727889" y3="0.94615436" z3="7.36006084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70188945" y3="1.99883992" z3="7.61401776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35684098" y3="0.3450624" z3="7.6701887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2603695" y3="0.48029104" z3="8.16912734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94940496" y3="-0.50485471" z3="7.78658944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55119435" y3="0.33678313" z3="9.23217871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08332455" y3="1.4798396" z3="8.1480682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11396766" y3="2.49300208" z3="7.42943222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55913662" y3="1.53354766" z3="9.13809556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9606,-1.2083,1.8415;-3.9998,-1.5688,1.9514;-2.3667,-2.0276,1.3957;-2.976,-.371,1.1178;-2.398,-.767,3.1908;-1.3445,-.447,3.0645;-2.3965,-1.6185,3.8917;-3.2003,.3651,3.8328;-4.246,.0321,3.9476;-3.214,1.2373,3.1483;-2.6731,.8005,5.1955;-3.1801,1.7246,5.5449;-1.5988,1.0596,5.1231;-2.8667,-.2276,6.3161;-2.2967,-.8322,8.7051;-3.2697,-1.3318,8.8516;-2.0653,-.3161,9.6575;-1.2564,-1.9414,8.469;-1.5482,-2.4843,7.5499;-1.3062,-2.6702,9.3027;.1726,-1.4207,8.3221;.479,-.9163,9.2621;.1755,-.6421,7.5382;1.2144,-2.4833,7.9583;2.1894,-1.9877,7.7796;.926,-2.9508,6.9958;1.4021,-3.5761,9.0107;1.6535,-3.1381,9.9945;.4844,-4.1747,9.1398;2.2169,-4.2694,8.7319;-3.4963,-1.2848,6.0968;-2.4145,.1814,7.5954;-1.7073,1.0193,7.6126;-6.2927,.8225,5.8542;-5.4903,1.5019,5.5251;-7.2176,1.0788,5.3129;-5.9919,-.2057,5.5825;-6.4773,.9462,7.3601;-6.7019,1.9988,7.614;-7.3568,.3451,7.6702;-5.2604,.4803,8.1691;-4.9494,-.5049,7.7866;-5.5512,.3368,9.2322;-4.0833,1.4798,8.1481;-4.114,2.493,7.4294;-3.5591,1.5335,9.1381;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724334934348</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008431372162 0.001505988932 0.028232104754 0.008512911064</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.035616399 -0.004040579 0.000228425 0.000294974 0.000373785 0.000619407 0.000701922 0.001422685 0.002047486 0.002639086 0.002881609 0.003632764 0.005746043 0.005885517 0.006379047 0.007840423 0.008832623 0.009575159 0.010945667 0.011295721 0.013123712 0.014999815 0.016935836 0.018521822 0.021220655 0.022174246 0.024662068 0.027476528 0.030046792 0.032381001 0.033729662 0.037358692 0.039529776 0.041451533 0.045426900 0.046659235 0.047929443 0.049366141 0.050239682 0.050856765 0.052713499 0.052985823 0.055073095 0.057127797 0.058171825 0.059218311 0.063558238 0.066111471 0.066332628 0.072604574 0.076301743 0.077041266 0.077689468 0.078300829 0.081570689 0.083311520 0.087119869 0.091292699 0.093451261 0.096019980 0.100082137 0.104170407 0.110643855 0.112802539 0.113077789 0.113669544 0.119198761 0.120283931 0.128315790 0.136493453 0.138368994 0.140312181 0.146521458 0.153540808 0.155911788 0.159301327 0.167797166 0.171666524 0.180130484 0.184527701 0.195246912 0.201410015 0.213977146 0.216985340 0.219726079 0.234070707 0.240355396 0.256641079 0.261820628 0.298537413 0.301111904 0.317408607 0.343142437 0.407804748 0.428515442 0.466431796 0.522765660 0.566957421 0.578573061 0.601936109 0.635995706 0.676193157 0.687434331 0.744814369 0.755169465 0.757316752 0.772568492 0.775082083 0.783082891 0.785372799 0.789537053 0.803020620 0.811547310 0.819869880 0.824951195 0.826260221 0.850134149 0.853157585 0.853767755 0.869195621 0.892594507 0.895891177 0.904326234 0.913862371 0.918198483 0.920236378 0.959482181 0.976068118 0.977487571 1.028483311 1.379195394 1.484688188</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">87</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.9545055" y3="-1.20834402" z3="1.84898287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.99533326" y3="-1.56417674" z3="1.95691973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.3632076" y3="-2.03058456" z3="1.40589641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.96466836" y3="-0.37187288" z3="1.124252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.39374537" y3="-0.76775927" z3="3.19889379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.33908742" y3="-0.45130571" z3="3.07513171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39711126" y3="-1.61817054" z3="3.90097971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19397475" y3="0.36755331" z3="3.83690647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24132385" y3="0.03867041" z3="3.94758381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20176039" y3="1.23938289" z3="3.15179435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67031021" y3="0.80268359" z3="5.20081059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17827317" y3="1.72652418" z3="5.54830346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59612175" y3="1.06174378" z3="5.13137793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86679984" y3="-0.22387366" z3="6.32182919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29885083" y3="-0.82565558" z3="8.71108201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27576978" y3="-1.3224798" z3="8.86553325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.06059475" y3="-0.30613328" z3="9.66321052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26042857" y3="-1.93584657" z3="8.47617797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5547689" y3="-2.48104556" z3="7.5616337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30680443" y3="-2.66082184" z3="9.31390696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16955419" y3="-1.41908029" z3="8.31814541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48947116" y3="-0.91555122" z3="9.25617803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.16867529" y3="-0.63964533" z3="7.53564776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.20480725" y3="-2.48602613" z3="7.94272519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.17841851" y3="-1.99251983" z3="7.75998454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.91105282" y3="-2.94989773" z3="6.98231246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.39822921" y3="-3.58116023" z3="8.99184273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65877711" y3="-3.14465682" z3="9.97481057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.47997096" y3="-4.17882095" z3="9.12806322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.20997176" y3="-4.27470929" z3="8.70589556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49792828" y3="-1.28108048" z3="6.10367832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41640523" y3="0.18620603" z3="7.60038084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70982293" y3="1.02449521" z3="7.61827991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28323021" y3="0.80478082" z3="5.8502753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.48669121" y3="1.48804818" z3="5.52077187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21126508" y3="1.05059692" z3="5.29034209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97131324" y3="-0.22518908" z3="5.59043911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.47883678" y3="0.9468849" z3="7.36216491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.70482" y3="1.99654256" z3="7.60726679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35448379" y3="0.34360891" z3="7.66731345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26882493" y3="0.48835672" z3="8.17319211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95302823" y3="-0.51213382" z3="7.80472247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56328159" y3="0.35404856" z3="9.23273342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08864392" y3="1.48401161" z3="8.14372335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11571923" y3="2.49234695" z3="7.42116784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56516244" y3="1.54251191" z3="9.13462454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9545,-1.2083,1.849;-3.9953,-1.5642,1.9569;-2.3632,-2.0306,1.4059;-2.9647,-.3719,1.1243;-2.3937,-.7678,3.1989;-1.3391,-.4513,3.0751;-2.3971,-1.6182,3.901;-3.194,.3676,3.8369;-4.2413,.0387,3.9476;-3.2018,1.2394,3.1518;-2.6703,.8027,5.2008;-3.1783,1.7265,5.5483;-1.5961,1.0617,5.1314;-2.8668,-.2239,6.3218;-2.2989,-.8257,8.7111;-3.2758,-1.3225,8.8655;-2.0606,-.3061,9.6632;-1.2604,-1.9358,8.4762;-1.5548,-2.481,7.5616;-1.3068,-2.6608,9.3139;.1696,-1.4191,8.3181;.4895,-.9156,9.2562;.1687,-.6396,7.5356;1.2048,-2.486,7.9427;2.1784,-1.9925,7.76;.9111,-2.9499,6.9823;1.3982,-3.5812,8.9918;1.6588,-3.1447,9.9748;.48,-4.1788,9.1281;2.21,-4.2747,8.7059;-3.4979,-1.2811,6.1037;-2.4164,.1862,7.6004;-1.7098,1.0245,7.6183;-6.2832,.8048,5.8503;-5.4867,1.488,5.5208;-7.2113,1.0506,5.2903;-5.9713,-.2252,5.5904;-6.4788,.9469,7.3622;-6.7048,1.9965,7.6073;-7.3545,.3436,7.6673;-5.2688,.4884,8.1732;-4.953,-.5121,7.8047;-5.5633,.354,9.2327;-4.0886,1.484,8.1437;-4.1157,2.4923,7.4212;-3.5652,1.5425,9.1346;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724311336292</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010712564873 0.001637164984 0.027585269322 0.008513131597</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.035684780 -0.006586391 0.000230938 0.000318835 0.000377817 0.000626147 0.000702532 0.001421701 0.002069868 0.002656707 0.002880834 0.003647500 0.005755685 0.005884280 0.006391955 0.007880497 0.008889417 0.009801723 0.010946043 0.011317680 0.013183670 0.015030981 0.016932347 0.018530229 0.021207349 0.022230600 0.024656573 0.027519179 0.030047009 0.032495913 0.033818902 0.037369819 0.039531321 0.041581636 0.045482554 0.046802887 0.048103421 0.049371342 0.050240341 0.050876656 0.052717491 0.052974474 0.055076071 0.057126149 0.058173096 0.059220953 0.063993114 0.066247914 0.066531953 0.072690676 0.076303753 0.077121096 0.077928828 0.078300735 0.081577799 0.083559497 0.087543842 0.091340388 0.093518433 0.098103323 0.100353439 0.104331026 0.110933906 0.112924989 0.113219345 0.113666252 0.119204723 0.121214548 0.128321424 0.136554942 0.140145263 0.141185411 0.146750367 0.153545690 0.156032724 0.159320848 0.168231647 0.171670965 0.180161825 0.184531536 0.195286892 0.201687945 0.214665983 0.217048611 0.220673074 0.234285433 0.240638349 0.257732234 0.261820817 0.298540728 0.301078796 0.317398166 0.343131010 0.407857222 0.428972214 0.466423754 0.522793023 0.566956441 0.579773154 0.602089260 0.636098423 0.676213081 0.689668769 0.745184245 0.755172167 0.757323521 0.772572486 0.775111679 0.783135221 0.785374229 0.789537119 0.803121636 0.811546621 0.820160673 0.825592841 0.832316239 0.850138993 0.853192005 0.853963349 0.869197262 0.892594946 0.895890943 0.904465807 0.913862697 0.918203525 0.920238387 0.962530060 0.976157524 0.977742156 1.028485252 1.379842898 1.484695711</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">88</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.94529582" y3="-1.21127026" z3="1.85652404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.98798079" y3="-1.5627161" z3="1.96122771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.35559162" y3="-2.03681927" z3="1.41730556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.94938409" y3="-0.37611755" z3="1.13018488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.38820126" y3="-0.77036401" z3="3.20782842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.332115" y3="-0.45702463" z3="3.08749112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39651684" y3="-1.61959681" z3="3.91125256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18789911" y3="0.36805093" z3="3.84116809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23678052" y3="0.04257128" z3="3.94763547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19044233" y3="1.23890911" z3="3.15478132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66834279" y3="0.80388419" z3="5.20641927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.17783075" y3="1.72762385" z3="5.55337737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59397418" y3="1.06386989" z3="5.13924024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86621628" y3="-0.22172485" z3="6.32782742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29806925" y3="-0.81560629" z3="8.72184243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27653112" y3="-1.30837375" z3="8.88681839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.04916927" y3="-0.29278964" z3="9.67055039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26361916" y3="-1.93124053" z3="8.47925423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57013998" y3="-2.47992471" z3="7.56761321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30613156" y3="-2.65236142" z3="9.3205348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1657636" y3="-1.41812644" z3="8.31119949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48799775" y3="-0.91871623" z3="9.24642567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.16106866" y3="-0.63670701" z3="7.5307008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.19563941" y3="-2.48476958" z3="7.92894534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.16868311" y3="-1.99266112" z3="7.74187478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.8948088" y3="-2.94456255" z3="6.96848545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.39247752" y3="-3.58467641" z3="8.97203956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65897586" y3="-3.15294767" z3="9.95441623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.47454842" y3="-4.18078486" z3="9.11024792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.20065101" y3="-4.27975362" z3="8.67831029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49136845" y3="-1.28150801" z3="6.10997905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42230293" y3="0.19424433" z3="7.608722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71445631" y3="1.03166927" z3="7.62351509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.27845131" y3="0.7916188" z3="5.8474107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.48077372" y3="1.47500905" z3="5.51560896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.20196139" y3="1.02904921" z3="5.29136267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96512672" y3="-0.23028072" z3="5.59168733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.47938342" y3="0.93717809" z3="7.34942894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71384816" y3="2.00165742" z3="7.58191976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36113125" y3="0.33987756" z3="7.6653089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2664777" y3="0.4845175" z3="8.18104663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95292512" y3="-0.50298036" z3="7.81851803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56818901" y3="0.36109082" z3="9.23993686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08762206" y3="1.48314412" z3="8.14663533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.12162124" y3="2.48906364" z3="7.41675857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56871244" y3="1.55183158" z3="9.13852698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9453,-1.2113,1.8565;-3.988,-1.5627,1.9612;-2.3556,-2.0368,1.4173;-2.9494,-.3761,1.1302;-2.3882,-.7704,3.2078;-1.3321,-.457,3.0875;-2.3965,-1.6196,3.9113;-3.1879,.3681,3.8412;-4.2368,.0426,3.9476;-3.1904,1.2389,3.1548;-2.6683,.8039,5.2064;-3.1778,1.7276,5.5534;-1.594,1.0639,5.1392;-2.8662,-.2217,6.3278;-2.2981,-.8156,8.7218;-3.2765,-1.3084,8.8868;-2.0492,-.2928,9.6706;-1.2636,-1.9312,8.4793;-1.5701,-2.4799,7.5676;-1.3061,-2.6524,9.3205;.1658,-1.4181,8.3112;.488,-.9187,9.2464;.1611,-.6367,7.5307;1.1956,-2.4848,7.9289;2.1687,-1.9927,7.7419;.8948,-2.9446,6.9685;1.3925,-3.5847,8.972;1.659,-3.1529,9.9544;.4745,-4.1808,9.1102;2.2007,-4.2798,8.6783;-3.4914,-1.2815,6.11;-2.4223,.1942,7.6087;-1.7145,1.0317,7.6235;-6.2785,.7916,5.8474;-5.4808,1.475,5.5156;-7.202,1.029,5.2914;-5.9651,-.2303,5.5917;-6.4794,.9372,7.3494;-6.7138,2.0017,7.5819;-7.3611,.3399,7.6653;-5.2665,.4845,8.181;-4.9529,-.503,7.8185;-5.5682,.3611,9.2399;-4.0876,1.4831,8.1466;-4.1216,2.4891,7.4168;-3.5687,1.5518,9.1385;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724216660916</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.015240309035 0.002342913776 0.026053860186 0.008512997936</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.038471405 -0.009373356 0.000232037 0.000344063 0.000406800 0.000637796 0.000703782 0.001436689 0.002080855 0.002654643 0.002881342 0.003658723 0.005759216 0.005898038 0.006427615 0.008047880 0.008887927 0.009874770 0.011045836 0.011311379 0.013242207 0.015125520 0.016973809 0.018539239 0.021310021 0.022269206 0.024704269 0.027510755 0.030046956 0.032719216 0.033861911 0.037372311 0.039531659 0.041590844 0.045632236 0.046867633 0.048425882 0.049709502 0.050240610 0.050876378 0.052713483 0.052978374 0.055318492 0.057123981 0.058216079 0.059247032 0.064679246 0.066277743 0.067071233 0.072690126 0.076303132 0.077137378 0.077991365 0.078302352 0.081581119 0.083660145 0.087734889 0.091384969 0.093542428 0.099859501 0.103931325 0.104322876 0.111064196 0.112946951 0.113567069 0.113917035 0.119204256 0.122206037 0.128354546 0.136559881 0.140291257 0.144000785 0.146882997 0.153550905 0.156069074 0.159364218 0.171520001 0.172348218 0.180153846 0.184535982 0.195401760 0.203064176 0.215025466 0.217253404 0.222694321 0.234265729 0.241904497 0.261672778 0.262279694 0.298527743 0.301361549 0.317447905 0.343328583 0.408034663 0.430897706 0.466767466 0.522810322 0.566979776 0.580492539 0.602219841 0.636095931 0.676245905 0.693434835 0.745197434 0.755176143 0.757325972 0.772590436 0.775157839 0.783137076 0.785374114 0.789538485 0.803203291 0.811547532 0.820361127 0.825647804 0.846896426 0.850183324 0.853281851 0.855241517 0.869229306 0.892594920 0.895920505 0.904723689 0.913919126 0.918205827 0.920238521 0.964566124 0.976335873 0.978301507 1.029103108 1.380211552 1.484707745</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">89</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.93497291" y3="-1.21428988" z3="1.86375345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.97935981" y3="-1.56213273" z3="1.96441959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.34604866" y3="-2.04260143" z3="1.42842002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.93323447" y3="-0.38042973" z3="1.13585196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.38229903" y3="-0.77277814" z3="3.21691433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.32500749" y3="-0.46177849" z3="3.10045953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39525033" y3="-1.62097545" z3="3.9214757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18254458" y3="0.36788659" z3="3.84566758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23192559" y3="0.04358569" z3="3.9499966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18225111" y3="1.23716597" z3="3.15726419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66672972" y3="0.80699195" z3="5.21148761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.1796197" y3="1.73030549" z3="5.55352603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.5929436" y3="1.06963523" z3="5.1453288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86323789" y3="-0.21800145" z3="6.33497979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29308083" y3="-0.80993995" z3="8.72748029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26933952" y3="-1.30001212" z3="8.89019659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0463963" y3="-0.28720537" z3="9.67344701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26471692" y3="-1.92984162" z3="8.48799254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57572896" y3="-2.47898521" z3="7.57980685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3047057" y3="-2.64910733" z3="9.33062747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16433892" y3="-1.41943982" z3="8.30997708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.49693252" y3="-0.92096891" z3="9.24443085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1544885" y3="-0.63795609" z3="7.52911024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.18959275" y3="-2.48730042" z3="7.91627187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.16412214" y3="-1.99777243" z3="7.72326712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.8790418" y3="-2.94280155" z3="6.95586749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.38934123" y3="-3.59169363" z3="8.95403012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66435735" y3="-3.16474049" z3="9.93726506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.46857764" y3="-4.18403136" z3="9.09568058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.19300645" y3="-4.28914226" z3="8.65225643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49413406" y3="-1.2763781" z3="6.11869276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.40974576" y3="0.19403292" z3="7.60984006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71130729" y3="1.03898234" z3="7.62682851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28189702" y3="0.78155429" z3="5.8438498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.49078304" y3="1.46976156" z3="5.50825948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.20666374" y3="1.01072642" z3="5.28048186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95714419" y3="-0.24787485" z3="5.59884162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48538737" y3="0.93670463" z3="7.35237804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72112369" y3="1.98558092" z3="7.58739027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35764541" y3="0.32919822" z3="7.6561674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27642238" y3="0.50095595" z3="8.17509289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94867893" y3="-0.50442327" z3="7.82436529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57446954" y3="0.38498352" z3="9.23589277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10538458" y3="1.50444059" z3="8.14802257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.13250853" y3="2.50725742" z3="7.41941894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.57507949" y3="1.56330862" z3="9.13511324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.935,-1.2143,1.8638;-3.9794,-1.5621,1.9644;-2.346,-2.0426,1.4284;-2.9332,-.3804,1.1359;-2.3823,-.7728,3.2169;-1.325,-.4618,3.1005;-2.3953,-1.621,3.9215;-3.1825,.3679,3.8457;-4.2319,.0436,3.95;-3.1823,1.2372,3.1573;-2.6667,.807,5.2115;-3.1796,1.7303,5.5535;-1.5929,1.0696,5.1453;-2.8632,-.218,6.335;-2.2931,-.8099,8.7275;-3.2693,-1.3,8.8902;-2.0464,-.2872,9.6734;-1.2647,-1.9298,8.488;-1.5757,-2.479,7.5798;-1.3047,-2.6491,9.3306;.1643,-1.4194,8.31;.4969,-.921,9.2444;.1545,-.638,7.5291;1.1896,-2.4873,7.9163;2.1641,-1.9978,7.7233;.879,-2.9428,6.9559;1.3893,-3.5917,8.954;1.6644,-3.1647,9.9373;.4686,-4.184,9.0957;2.193,-4.2891,8.6523;-3.4941,-1.2764,6.1187;-2.4097,.194,7.6098;-1.7113,1.039,7.6268;-6.2819,.7816,5.8438;-5.4908,1.4698,5.5083;-7.2067,1.0107,5.2805;-5.9571,-.2479,5.5988;-6.4854,.9367,7.3524;-6.7211,1.9856,7.5874;-7.3576,.3292,7.6562;-5.2764,.501,8.1751;-4.9487,-.5044,7.8244;-5.5745,.385,9.2359;-4.1054,1.5044,8.148;-4.1325,2.5073,7.4194;-3.5751,1.5633,9.1351;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724291714599</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010565470198 0.001797127139 0.027116369274 0.008512291114</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043093802 -0.003806378 0.000233311 0.000363346 0.000406256 0.000651760 0.000741224 0.001433199 0.002104805 0.002682234 0.002883581 0.003701394 0.005759265 0.005945461 0.006412904 0.008036508 0.008933586 0.009907046 0.011091232 0.011349639 0.013238607 0.015209714 0.017076993 0.018552802 0.021307496 0.022276225 0.024701043 0.027548280 0.030046917 0.032737221 0.033860029 0.037411086 0.039536362 0.041632316 0.045708341 0.046863714 0.048559029 0.050128443 0.050241226 0.050882277 0.052713978 0.053015926 0.055540405 0.057122037 0.058258166 0.059297568 0.064913631 0.066279154 0.067110568 0.072708017 0.076304859 0.077134577 0.078008263 0.078311173 0.081580554 0.083651903 0.087724101 0.091392709 0.093541421 0.099990263 0.104307504 0.106107157 0.111059645 0.112947197 0.113558653 0.114482377 0.119205967 0.122532128 0.128374111 0.136560526 0.140368949 0.145001762 0.146873681 0.153553149 0.156120282 0.159566004 0.171649114 0.176044923 0.180158619 0.184545444 0.195418195 0.203862996 0.215368879 0.217350739 0.224652836 0.234663180 0.242738760 0.261804289 0.267446768 0.298537444 0.301692595 0.317464445 0.343519378 0.408373818 0.433476107 0.466940175 0.522817691 0.567041423 0.581140526 0.602217795 0.636187647 0.676372278 0.697693948 0.745523360 0.755193907 0.757364028 0.772707743 0.775157130 0.783174084 0.785427800 0.789540888 0.803309842 0.811548023 0.820474950 0.825666937 0.850145291 0.852691651 0.853372003 0.861020538 0.869322240 0.892595623 0.895941167 0.907183240 0.914547025 0.918205677 0.920239690 0.965204745 0.976423057 0.978801519 1.029466174 1.380233744 1.484732654</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">90</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91794654" y3="-1.22158187" z3="1.8705925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.96309089" y3="-1.56826143" z3="1.96496317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.32699412" y3="-2.05112294" z3="1.44105777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.91058112" y3="-0.38933663" z3="1.1409248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.37364101" y3="-0.77804355" z3="3.22624593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.3162537" y3="-0.46622929" z3="3.11543598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.38983927" y3="-1.62491468" z3="3.93219688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1778265" y3="0.36265906" z3="3.84912937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22678748" y3="0.03678326" z3="3.95179709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1774226" y3="1.22979223" z3="3.15813964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66605842" y3="0.80733601" z3="5.21449061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18335792" y3="1.72939438" z3="5.55271176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59341201" y3="1.07450647" z3="5.14921195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85981966" y3="-0.21557607" z3="6.34040934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29233504" y3="-0.79983212" z3="8.73490565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27321756" y3="-1.28517637" z3="8.90954918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0342177" y3="-0.27356616" z3="9.67919762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26825147" y3="-1.92230245" z3="8.49152417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58390594" y3="-2.46883636" z3="7.58468069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30556987" y3="-2.64190994" z3="9.33395936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16181025" y3="-1.41623167" z3="8.30543355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.50692417" y3="-0.92123627" z3="9.23956715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14844494" y3="-0.6319488" z3="7.52787405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.17974112" y3="-2.48822338" z3="7.89891072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.15490247" y3="-2.00178629" z3="7.70275372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.86231236" y3="-2.93852994" z3="6.93880918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.38104131" y3="-3.59676995" z3="8.9320389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66116731" y3="-3.17372034" z3="9.91497921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.4597146" y3="-4.18736028" z3="9.07647124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.18145618" y3="-4.29405422" z3="8.62514006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4841164" y3="-1.27854131" z3="6.12566686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41063551" y3="0.20164248" z3="7.61522297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71660734" y3="1.05002213" z3="7.6325978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28195079" y3="0.78170036" z3="5.84690114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.49147154" y3="1.47083645" z3="5.51453283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21045435" y3="1.0022313" z3="5.28148214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.94906927" y3="-0.24394928" z3="5.60010339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48904875" y3="0.93364012" z3="7.34937279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72864324" y3="1.98590133" z3="7.58083602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36404217" y3="0.32760199" z3="7.66418097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27719805" y3="0.49499038" z3="8.18012253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95261389" y3="-0.49553019" z3="7.82751746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58152701" y3="0.37911062" z3="9.23824553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11052917" y3="1.50408676" z3="8.14794435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.13983351" y3="2.50330395" z3="7.4149925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58321369" y3="1.5694887" z3="9.1350677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9179,-1.2216,1.8706;-3.9631,-1.5683,1.965;-2.327,-2.0511,1.4411;-2.9106,-.3893,1.1409;-2.3736,-.778,3.2262;-1.3163,-.4662,3.1154;-2.3898,-1.6249,3.9322;-3.1778,.3627,3.8491;-4.2268,.0368,3.9518;-3.1774,1.2298,3.1581;-2.6661,.8073,5.2145;-3.1834,1.7294,5.5527;-1.5934,1.0745,5.1492;-2.8598,-.2156,6.3404;-2.2923,-.7998,8.7349;-3.2732,-1.2852,8.9095;-2.0342,-.2736,9.6792;-1.2683,-1.9223,8.4915;-1.5839,-2.4688,7.5847;-1.3056,-2.6419,9.334;.1618,-1.4162,8.3054;.5069,-.9212,9.2396;.1484,-.6319,7.5279;1.1797,-2.4882,7.8989;2.1549,-2.0018,7.7028;.8623,-2.9385,6.9388;1.381,-3.5968,8.932;1.6612,-3.1737,9.915;.4597,-4.1874,9.0765;2.1815,-4.2941,8.6251;-3.4841,-1.2785,6.1257;-2.4106,.2016,7.6152;-1.7166,1.05,7.6326;-6.282,.7817,5.8469;-5.4915,1.4708,5.5145;-7.2105,1.0022,5.2815;-5.9491,-.2439,5.6001;-6.489,.9336,7.3494;-6.7286,1.9859,7.5808;-7.364,.3276,7.6642;-5.2772,.495,8.1801;-4.9526,-.4955,7.8275;-5.5815,.3791,9.2382;-4.1105,1.5041,8.1479;-4.1398,2.5033,7.415;-3.5832,1.5695,9.1351;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724362491707</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006884479780 0.001331427358 0.028083918664 0.008513280930</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.042870783 -0.003806222 0.000232784 0.000362529 0.000390711 0.000679155 0.000736963 0.001428183 0.002105700 0.002671196 0.002886387 0.003870117 0.005761040 0.005942494 0.006387684 0.008028324 0.009044158 0.009904006 0.011123200 0.011436869 0.013311874 0.015241763 0.017109115 0.018566023 0.021332954 0.022285797 0.024754644 0.027617417 0.030048772 0.032753722 0.033876904 0.037513692 0.039554426 0.042317715 0.045705459 0.046934090 0.048571459 0.050227243 0.050244855 0.050878823 0.052724884 0.053020492 0.055544156 0.057208733 0.058348907 0.059350179 0.064902855 0.066279078 0.067138947 0.072705762 0.076305651 0.077131948 0.078047113 0.078366143 0.081582848 0.083690572 0.087731674 0.091412377 0.093543473 0.100044336 0.104334242 0.105949624 0.111118316 0.112959438 0.113568920 0.115190586 0.119211370 0.122532189 0.128377520 0.136564208 0.140453815 0.144982275 0.147005516 0.153554807 0.156436120 0.159838671 0.171659225 0.176091187 0.180237204 0.184547264 0.195420926 0.203813444 0.215432303 0.217407837 0.225735474 0.236531696 0.242680478 0.261816877 0.268151021 0.298592294 0.301675450 0.317566135 0.343514197 0.408500237 0.433821295 0.466944567 0.522909547 0.567113238 0.581500963 0.602290645 0.636482847 0.676593659 0.698659596 0.745957868 0.755197159 0.757377915 0.773105320 0.775173705 0.783202417 0.785451842 0.789540282 0.803310434 0.811554134 0.820473587 0.825674436 0.850157408 0.853273863 0.854304289 0.861048317 0.869319144 0.892609086 0.896078897 0.910585979 0.917138977 0.919052850 0.920241415 0.965483088 0.976455163 0.979130507 1.029494200 1.380318578 1.484737936</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">91</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.89683488" y3="-1.23069075" z3="1.87607467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.94199533" y3="-1.57898688" z3="1.96368904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.30150826" y3="-2.05997214" z3="1.45202768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.8857808" y3="-0.39988652" z3="1.1449735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.36246773" y3="-0.78379725" z3="3.2347371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.30551027" y3="-0.46853259" z3="3.12964085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.37946402" y3="-1.62984156" z3="3.94146901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17397473" y3="0.35478579" z3="3.85212231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22131311" y3="0.02362252" z3="3.95420016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17706536" y3="1.21924449" z3="3.15786999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66627941" y3="0.8072618" z3="5.21666009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.18779498" y3="1.72870666" z3="5.55090248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59457723" y3="1.07889954" z3="5.1513611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8569519" y3="-0.21223877" z3="6.34608661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29031236" y3="-0.79012189" z3="8.74118819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26788408" y3="-1.27470448" z3="8.91463689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.03249727" y3="-0.26651128" z3="9.68353004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26946119" y3="-1.91527418" z3="8.49148549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59641554" y3="-2.46135364" z3="7.58498292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30565244" y3="-2.63461791" z3="9.33444109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16071691" y3="-1.41288122" z3="8.29945132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.50460483" y3="-0.92438598" z3="9.23230348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14616585" y3="-0.62486924" z3="7.5258085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.17217593" y3="-2.48544197" z3="7.88631023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.14820668" y3="-2.00230839" z3="7.68910995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.84926107" y3="-2.92931395" z3="6.92522645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.37147809" y3="-3.60098443" z3="8.91189729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65724208" y3="-3.18478735" z3="9.89626742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.4475795" y3="-4.18718338" z3="9.05501768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.16705105" y3="-4.30255323" z3="8.59705614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47708742" y3="-1.27849087" z3="6.13377775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4110172" y3="0.20979588" z3="7.61994734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72040921" y3="1.0611046" z3="7.6365333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28966254" y3="0.77918175" z3="5.84908808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5020296" y3="1.47136649" z3="5.5108006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21302334" y3="1.00752538" z3="5.29478324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96547677" y3="-0.24333252" z3="5.6026226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49258891" y3="0.93211424" z3="7.35567344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73661769" y3="1.9888312" z3="7.58502016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36136002" y3="0.32191246" z3="7.6647937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27995149" y3="0.50006913" z3="8.1827449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94695383" y3="-0.50350657" z3="7.83343838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58236807" y3="0.38348909" z3="9.243101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11494771" y3="1.50861142" z3="8.15110337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.14597198" y3="2.50675813" z3="7.41650884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58524412" y3="1.57374456" z3="9.13742387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8968,-1.2307,1.8761;-3.942,-1.579,1.9637;-2.3015,-2.06,1.452;-2.8858,-.3999,1.145;-2.3625,-.7838,3.2347;-1.3055,-.4685,3.1296;-2.3795,-1.6298,3.9415;-3.174,.3548,3.8521;-4.2213,.0236,3.9542;-3.1771,1.2192,3.1579;-2.6663,.8073,5.2167;-3.1878,1.7287,5.5509;-1.5946,1.0789,5.1514;-2.857,-.2122,6.3461;-2.2903,-.7901,8.7412;-3.2679,-1.2747,8.9146;-2.0325,-.2665,9.6835;-1.2695,-1.9153,8.4915;-1.5964,-2.4614,7.585;-1.3057,-2.6346,9.3344;.1607,-1.4129,8.2995;.5046,-.9244,9.2323;.1462,-.6249,7.5258;1.1722,-2.4854,7.8863;2.1482,-2.0023,7.6891;.8493,-2.9293,6.9252;1.3715,-3.601,8.9119;1.6572,-3.1848,9.8963;.4476,-4.1872,9.055;2.1671,-4.3026,8.5971;-3.4771,-1.2785,6.1338;-2.411,.2098,7.6199;-1.7204,1.0611,7.6365;-6.2897,.7792,5.8491;-5.502,1.4714,5.5108;-7.213,1.0075,5.2948;-5.9655,-.2433,5.6026;-6.4926,.9321,7.3557;-6.7366,1.9888,7.585;-7.3614,.3219,7.6648;-5.28,.5001,8.1827;-4.947,-.5035,7.8334;-5.5824,.3835,9.2431;-4.1149,1.5086,8.1511;-4.146,2.5068,7.4165;-3.5852,1.5737,9.1374;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724338264321</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012962374748 0.001683923337 0.026860326459 0.008512810129</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.042853225 -0.006611074 0.000238223 0.000321910 0.000384561 0.000684344 0.000741310 0.001431723 0.002106703 0.002682924 0.002887112 0.003853359 0.005761040 0.005983710 0.006380164 0.008026312 0.009102618 0.009904416 0.011106372 0.011598511 0.013457497 0.015237378 0.017113523 0.018593709 0.021401774 0.022333501 0.024869953 0.027613201 0.030057791 0.032767744 0.033879312 0.037612348 0.039573337 0.043515676 0.045705998 0.047053596 0.048585530 0.050240344 0.050388864 0.050880807 0.052720336 0.053066804 0.055588289 0.057607930 0.058477527 0.059352819 0.064961787 0.066291293 0.067317849 0.072755995 0.076307559 0.077133426 0.078100393 0.078558761 0.081586396 0.083993736 0.087730092 0.091455368 0.093543181 0.100099017 0.104497022 0.106660556 0.111152586 0.112965128 0.113579851 0.116777463 0.119212236 0.123398218 0.128379232 0.136565336 0.140567898 0.145085557 0.147268585 0.153555707 0.157179991 0.160649561 0.171661640 0.176112846 0.180325988 0.184549485 0.195421234 0.204036589 0.215565766 0.217402669 0.226237962 0.240833091 0.242728978 0.261814691 0.268410939 0.298834635 0.301732150 0.317882517 0.343517367 0.408579758 0.434161525 0.467049169 0.523186084 0.567256720 0.581491695 0.602445538 0.636906380 0.676904162 0.699535774 0.746337660 0.755236657 0.757423163 0.773311098 0.775225995 0.783280686 0.785494837 0.789539950 0.803338883 0.811569837 0.820475244 0.825676028 0.850212728 0.853343461 0.856038114 0.861229046 0.869370823 0.892619689 0.896142923 0.911958049 0.918069615 0.920233243 0.926977075 0.965552318 0.976472209 0.979269293 1.029593133 1.380325894 1.484757568</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">92</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.87535832" y3="-1.24160108" z3="1.88090835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.92012735" y3="-1.59300596" z3="1.96225911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.27464793" y3="-2.06997582" z3="1.46222249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.86200701" y3="-0.41230947" z3="1.148148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.35091349" y3="-0.78996723" z3="3.24211844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.29459625" y3="-0.47017684" z3="3.14226348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.36766073" y3="-1.63520515" z3="3.94996803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17114621" y3="0.34621929" z3="3.85351576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.2164772" y3="0.00817023" z3="3.95629258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1788947" y3="1.20774456" z3="3.15553151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.66839577" y3="0.80731277" z3="5.21703179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.19361686" y3="1.72838304" z3="5.5463202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.59724556" y3="1.08169644" z3="5.15338793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85876845" y3="-0.20904182" z3="6.3491467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28999281" y3="-0.78440413" z3="8.74258639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27024231" y3="-1.26661063" z3="8.92255026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.02472223" y3="-0.25940712" z3="9.6851034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27310722" y3="-1.91075197" z3="8.49108391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59722592" y3="-2.45372031" z3="7.58656099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30758031" y3="-2.63124068" z3="9.3328479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15608727" y3="-1.40944164" z3="8.29603163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51066769" y3="-0.92368763" z3="9.23048583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14060031" y3="-0.61937034" z3="7.52403872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.16405532" y3="-2.4822312" z3="7.87383971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.14111422" y3="-2.00120321" z3="7.67757335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.83751866" y3="-2.91846462" z3="6.91105861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.36151276" y3="-3.60471627" z3="8.89243105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65091205" y3="-3.1962217" z3="9.87881659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.43514283" y3="-4.18742378" z3="9.03446523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.15324404" y3="-4.30649914" z3="8.57306607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47721062" y3="-1.27642882" z3="6.13873881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41203454" y3="0.21543706" z3="7.62197544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72294498" y3="1.06786286" z3="7.63766787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29427284" y3="0.78740698" z3="5.85719728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.50721476" y3="1.47816561" z3="5.51944661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.22869103" y3="1.00939482" z3="5.29273682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96254923" y3="-0.24201374" z3="5.60893769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49601405" y3="0.93352315" z3="7.36228779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74102083" y3="1.97905436" z3="7.59955322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36726127" y3="0.3210852" z3="7.67406311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27945754" y3="0.49901817" z3="8.18533888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94910746" y3="-0.48425554" z3="7.82626333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57683442" y3="0.37454967" z3="9.24212325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11863447" y3="1.5137592" z3="8.15607222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15122519" y3="2.51228647" z3="7.42246652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58762411" y3="1.57876215" z3="9.14136537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8754,-1.2416,1.8809;-3.9201,-1.593,1.9623;-2.2746,-2.07,1.4622;-2.862,-.4123,1.1481;-2.3509,-.79,3.2421;-1.2946,-.4702,3.1423;-2.3677,-1.6352,3.95;-3.1711,.3462,3.8535;-4.2165,.0082,3.9563;-3.1789,1.2077,3.1555;-2.6684,.8073,5.217;-3.1936,1.7284,5.5463;-1.5972,1.0817,5.1534;-2.8588,-.209,6.3491;-2.29,-.7844,8.7426;-3.2702,-1.2666,8.9226;-2.0247,-.2594,9.6851;-1.2731,-1.9108,8.4911;-1.5972,-2.4537,7.5866;-1.3076,-2.6312,9.3328;.1561,-1.4094,8.296;.5107,-.9237,9.2305;.1406,-.6194,7.524;1.1641,-2.4822,7.8738;2.1411,-2.0012,7.6776;.8375,-2.9185,6.9111;1.3615,-3.6047,8.8924;1.6509,-3.1962,9.8788;.4351,-4.1874,9.0345;2.1532,-4.3065,8.5731;-3.4772,-1.2764,6.1387;-2.412,.2154,7.622;-1.7229,1.0679,7.6377;-6.2943,.7874,5.8572;-5.5072,1.4782,5.5194;-7.2287,1.0094,5.2927;-5.9625,-.242,5.6089;-6.496,.9335,7.3623;-6.741,1.9791,7.5996;-7.3673,.3211,7.6741;-5.2795,.499,8.1853;-4.9491,-.4843,7.8263;-5.5768,.3745,9.2421;-4.1186,1.5138,8.1561;-4.1512,2.5123,7.4225;-3.5876,1.5788,9.1414;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724330343550</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.018533418287 0.002033035262 0.029275342839 0.008512034212</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043202596 -0.007156253 0.000253938 0.000320417 0.000399341 0.000684893 0.000752130 0.001435745 0.002113774 0.002685217 0.002887889 0.004034113 0.005768287 0.005978715 0.006395861 0.008027466 0.009147313 0.009930156 0.011104177 0.011573878 0.013446046 0.015290725 0.017111405 0.018593212 0.021396171 0.022336451 0.024869289 0.027649977 0.030059131 0.032766929 0.033883368 0.037605828 0.039572219 0.043898070 0.045706697 0.047038266 0.048647639 0.050242234 0.050453267 0.050901617 0.052722810 0.053088232 0.055828041 0.058052229 0.058668227 0.059353938 0.065190388 0.066297644 0.067443859 0.072791428 0.076308718 0.077135739 0.078143088 0.079063872 0.081596698 0.084366948 0.087729805 0.091485095 0.093543044 0.100113412 0.104646912 0.108397324 0.111160692 0.112964870 0.113580457 0.118498335 0.119212318 0.125300528 0.128402841 0.136565085 0.140599336 0.145146349 0.147482251 0.153562034 0.157876911 0.162520871 0.171785204 0.176127833 0.180346226 0.184553900 0.195427780 0.204753625 0.215805721 0.217402925 0.226464624 0.242601587 0.248159396 0.261819280 0.268409938 0.298953246 0.301785344 0.318263993 0.343541611 0.408612944 0.434503075 0.467112246 0.523348177 0.567327768 0.581586260 0.602561184 0.637269648 0.677077236 0.699693340 0.746416151 0.755282674 0.757441898 0.773727459 0.775277032 0.783321271 0.785538448 0.789540804 0.803338115 0.811605236 0.820475078 0.825679043 0.850215546 0.853344933 0.856872413 0.862238270 0.869463280 0.892622507 0.896173292 0.912666767 0.918168713 0.920238912 0.946026587 0.965580260 0.976486687 0.979485959 1.029675633 1.380336171 1.484768836</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">93</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85328398" y3="-1.2519604" z3="1.88477976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89643356" y3="-1.6090283" z3="1.96054562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.24537259" y3="-2.07783863" z3="1.47188311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83988271" y3="-0.42445538" z3="1.15012862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.33936315" y3="-0.79411708" z3="3.24787451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.28462387" y3="-0.46788841" z3="3.15309503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.35439752" y3="-1.63813606" z3="3.95725942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16940771" y3="0.33838578" z3="3.85299306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21268796" y3="-0.00669688" z3="3.95503742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18160861" y3="1.19758192" z3="3.15210913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67238985" y3="0.80665125" z3="5.21607501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20245318" y3="1.72616209" z3="5.54147732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.60266977" y3="1.08587297" z3="5.15493004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8613281" y3="-0.20705355" z3="6.35030358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29172918" y3="-0.77644447" z3="8.74696672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27155085" y3="-1.25809679" z3="8.93412558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.02176691" y3="-0.24908428" z3="9.68587322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27562531" y3="-1.90310706" z3="8.49234827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60520672" y3="-2.44657304" z3="7.58703246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30997098" y3="-2.62490329" z3="9.33303621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15523369" y3="-1.40420057" z3="8.29352877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51495656" y3="-0.92327314" z3="9.22802529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13750424" y3="-0.61121336" z3="7.52463285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.15714439" y3="-2.48017287" z3="7.86144893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.1369704" y3="-2.0025927" z3="7.66253909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.82340259" y3="-2.91193113" z3="6.89732768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.35220251" y3="-3.60665202" z3="8.87605863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64582606" y3="-3.20231802" z3="9.863238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.42370549" y3="-4.18686116" z3="9.01924243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.1404829" y3="-4.310137" z3="8.55134438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47798933" y3="-1.27577734" z3="6.14147536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41878064" y3="0.22167469" z3="7.62402523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72773032" y3="1.07254499" z3="7.63669878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30075984" y3="0.79195421" z3="5.86150409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.51314536" y3="1.48621983" z3="5.53338993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.22939947" y3="1.02009104" z3="5.31619739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97110676" y3="-0.22564472" z3="5.60271722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49659939" y3="0.93231409" z3="7.36946016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74113559" y3="1.98642213" z3="7.60648677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3647548" y3="0.31978962" z3="7.68381353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28021626" y3="0.49671881" z3="8.18558018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94725153" y3="-0.50322722" z3="7.82631646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57767605" y3="0.36830076" z3="9.24858733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11765429" y3="1.50998869" z3="8.15334858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15266134" y3="2.50991532" z3="7.42077987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59278418" y3="1.57925291" z3="9.14224722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8533,-1.252,1.8848;-3.8964,-1.609,1.9605;-2.2454,-2.0778,1.4719;-2.8399,-.4245,1.1501;-2.3394,-.7941,3.2479;-1.2846,-.4679,3.1531;-2.3544,-1.6381,3.9573;-3.1694,.3384,3.853;-4.2127,-.0067,3.955;-3.1816,1.1976,3.1521;-2.6724,.8067,5.2161;-3.2025,1.7262,5.5415;-1.6027,1.0859,5.1549;-2.8613,-.2071,6.3503;-2.2917,-.7764,8.747;-3.2716,-1.2581,8.9341;-2.0218,-.2491,9.6859;-1.2756,-1.9031,8.4923;-1.6052,-2.4466,7.587;-1.31,-2.6249,9.333;.1552,-1.4042,8.2935;.515,-.9233,9.228;.1375,-.6112,7.5246;1.1571,-2.4802,7.8614;2.137,-2.0026,7.6625;.8234,-2.9119,6.8973;1.3522,-3.6067,8.8761;1.6458,-3.2023,9.8632;.4237,-4.1869,9.0192;2.1405,-4.3101,8.5513;-3.478,-1.2758,6.1415;-2.4188,.2217,7.624;-1.7277,1.0725,7.6367;-6.3008,.792,5.8615;-5.5131,1.4862,5.5334;-7.2294,1.0201,5.3162;-5.9711,-.2256,5.6027;-6.4966,.9323,7.3695;-6.7411,1.9864,7.6065;-7.3648,.3198,7.6838;-5.2802,.4967,8.1856;-4.9473,-.5032,7.8263;-5.5777,.3683,9.2486;-4.1177,1.51,8.1533;-4.1527,2.5099,7.4208;-3.5928,1.5793,9.1422;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724369089606</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012631839406 0.001597594243 0.032017604483 0.008512619713</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043595949 -0.004878328 0.000262818 0.000301412 0.000406548 0.000684901 0.000753216 0.001468551 0.002119228 0.002704406 0.002901275 0.004142477 0.005769378 0.005987362 0.006397675 0.008047830 0.009246433 0.009937499 0.011103099 0.011652639 0.013465033 0.015351916 0.017177053 0.018718602 0.021466572 0.022339940 0.024922408 0.027720760 0.030059995 0.032823123 0.033943861 0.037620780 0.039574049 0.043889709 0.045745099 0.047126406 0.048696978 0.050246412 0.050449750 0.050904013 0.052729780 0.053093422 0.056073480 0.058278123 0.058687052 0.059376946 0.065467727 0.066298017 0.067445394 0.072796428 0.076307708 0.077141441 0.078157092 0.079552330 0.081601996 0.084831267 0.087735153 0.091515838 0.093545425 0.100118120 0.104901681 0.109857509 0.111165081 0.112966598 0.113606313 0.119212352 0.119864820 0.127440312 0.128507238 0.136587573 0.140606066 0.145173617 0.147521140 0.153568644 0.158129959 0.164712194 0.172059430 0.176223979 0.180427247 0.184553374 0.195427143 0.205076226 0.216146836 0.217405672 0.226663159 0.242823576 0.253616482 0.261819938 0.268437497 0.299124501 0.301807241 0.318361681 0.343543612 0.408681956 0.435087789 0.467110240 0.523351113 0.567331798 0.582278399 0.602564297 0.637264788 0.677075508 0.699732372 0.746571096 0.755313792 0.757447575 0.774040001 0.775306662 0.783394333 0.785567254 0.789546224 0.803345846 0.811605363 0.820535190 0.825680430 0.850224266 0.853347708 0.857522466 0.862223921 0.869466394 0.892625520 0.896173567 0.912901739 0.918369482 0.920243256 0.960959545 0.965883542 0.976609798 0.980543244 1.029940764 1.380507878 1.484779388</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">94</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.83062589" y3="-1.26366875" z3="1.89010808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87094237" y3="-1.62938359" z3="1.96101747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.21335498" y3="-2.0856477" z3="1.48355825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81990158" y3="-0.4387258" z3="1.15270614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32803533" y3="-0.79722347" z3="3.25451783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.27553253" y3="-0.46288277" z3="3.16413575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.33950586" y3="-1.63933534" z3="3.96615243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16934699" y3="0.33064981" z3="3.85279819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21041251" y3="-0.02177921" z3="3.95254791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18567116" y3="1.18741343" z3="3.14911931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.67910594" y3="0.80644061" z3="5.21583624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21487873" y3="1.72394732" z3="5.53825056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61092588" y3="1.09206125" z3="5.15653924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86576003" y3="-0.20443455" z3="6.35253671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29226624" y3="-0.76928924" z3="8.74887857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26821809" y3="-1.25157942" z3="8.9342532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.02338831" y3="-0.24295779" z3="9.68631142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27781528" y3="-1.89752131" z3="8.49139119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61333529" y3="-2.44253291" z3="7.58811352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31024471" y3="-2.61674723" z3="9.33493642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15337643" y3="-1.40171612" z3="8.28818622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51211378" y3="-0.92603779" z3="9.22224348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13670012" y3="-0.6051611" z3="7.52339103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.15111386" y3="-2.47718118" z3="7.85209761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12978657" y3="-2.00095945" z3="7.6578988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.81971518" y3="-2.90121522" z3="6.88701282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.3434534" y3="-3.61105812" z3="8.85897939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6398862" y3="-3.21427208" z3="9.84788985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.41384828" y3="-4.18811783" z3="8.99837564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.12797371" y3="-4.31674583" z3="8.52837601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48142284" y3="-1.27339922" z3="6.14706337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42415843" y3="0.22886339" z3="7.62632822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72922518" y3="1.07700241" z3="7.63411799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3056726" y3="0.79957009" z3="5.87018294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.52130963" y3="1.49567728" z3="5.53071791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24062421" y3="1.03254183" z3="5.31730112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98159168" y3="-0.22612488" z3="5.6115713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49879042" y3="0.93463964" z3="7.37876688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74609075" y3="1.98370902" z3="7.6221753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36427974" y3="0.31795782" z3="7.68702354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27633075" y3="0.49555021" z3="8.19323333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94929577" y3="-0.4892284" z3="7.82403279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56643331" y3="0.35744247" z3="9.25043657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11325988" y3="1.50927777" z3="8.15731992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15431308" y3="2.50962559" z3="7.42301312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58987035" y3="1.5830126" z3="9.14644466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8306,-1.2637,1.8901;-3.8709,-1.6294,1.961;-2.2134,-2.0856,1.4836;-2.8199,-.4387,1.1527;-2.328,-.7972,3.2545;-1.2755,-.4629,3.1641;-2.3395,-1.6393,3.9662;-3.1693,.3306,3.8528;-4.2104,-.0218,3.9525;-3.1857,1.1874,3.1491;-2.6791,.8064,5.2158;-3.2149,1.7239,5.5383;-1.6109,1.0921,5.1565;-2.8658,-.2044,6.3525;-2.2923,-.7693,8.7489;-3.2682,-1.2516,8.9343;-2.0234,-.243,9.6863;-1.2778,-1.8975,8.4914;-1.6133,-2.4425,7.5881;-1.3102,-2.6167,9.3349;.1534,-1.4017,8.2882;.5121,-.926,9.2222;.1367,-.6052,7.5234;1.1511,-2.4772,7.8521;2.1298,-2.001,7.6579;.8197,-2.9012,6.887;1.3435,-3.6111,8.859;1.6399,-3.2143,9.8479;.4138,-4.1881,8.9984;2.128,-4.3167,8.5284;-3.4814,-1.2734,6.1471;-2.4242,.2289,7.6263;-1.7292,1.077,7.6341;-6.3057,.7996,5.8702;-5.5213,1.4957,5.5307;-7.2406,1.0325,5.3173;-5.9816,-.2261,5.6116;-6.4988,.9346,7.3788;-6.7461,1.9837,7.6222;-7.3643,.318,7.687;-5.2763,.4956,8.1932;-4.9493,-.4892,7.824;-5.5664,.3574,9.2504;-4.1133,1.5093,8.1573;-4.1543,2.5096,7.423;-3.5899,1.583,9.1464;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724419097369</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005359857214 0.001208019657 0.032466793289 0.008512814295</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043599773 -0.003345874 0.000256187 0.000290441 0.000399945 0.000686347 0.000752922 0.001466499 0.002137132 0.002724033 0.002907060 0.004314735 0.005772484 0.006014228 0.006405332 0.008078756 0.009279866 0.009945784 0.011107861 0.011729510 0.013515169 0.015355249 0.017261443 0.018907348 0.021574958 0.022404877 0.024979892 0.027719248 0.030064827 0.032890991 0.034000438 0.037726506 0.039584607 0.044139217 0.045835994 0.047347162 0.048817618 0.050253422 0.050475639 0.050919146 0.052727968 0.053092380 0.056322612 0.058362070 0.058766160 0.059414228 0.065631889 0.066298771 0.067448034 0.072802541 0.076313192 0.077217823 0.078185484 0.079865284 0.081604148 0.084996883 0.087740023 0.091513044 0.093558150 0.100118411 0.105294202 0.110543484 0.111295465 0.112972256 0.113670598 0.119212569 0.120756714 0.127896441 0.128573397 0.136622180 0.140763837 0.145181949 0.147523483 0.153580439 0.158209390 0.165677558 0.172167560 0.176788973 0.180787824 0.184574562 0.195455729 0.205264577 0.216225789 0.217414764 0.226760138 0.242981643 0.256383054 0.261821024 0.268468025 0.299167706 0.301813108 0.318371520 0.343547509 0.408848537 0.435664491 0.467218834 0.523646270 0.567621214 0.583681480 0.602578072 0.637744388 0.677366294 0.700283056 0.747115363 0.755322695 0.757474815 0.774322450 0.775360547 0.783393673 0.785573598 0.789567558 0.803385045 0.811674079 0.820628459 0.825684586 0.850340428 0.853423905 0.857617493 0.862684525 0.869624678 0.892625949 0.896177535 0.913022684 0.918544376 0.920257107 0.964647118 0.967201704 0.976757672 0.981731382 1.031021162 1.380591235 1.484783042</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">95</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80869681" y3="-1.2751338" z3="1.89633102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8455927" y3="-1.65158638" z3="1.96427989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.18088819" y3="-2.09247254" z3="1.49598123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.80329584" y3="-0.45316111" z3="1.15552863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.3166545" y3="-0.79778766" z3="3.2608759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26658897" y3="-0.45446342" z3="3.17370024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32359174" y3="-1.63728291" z3="3.97586805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17009018" y3="0.32531534" z3="3.85154559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20857" y3="-0.03539385" z3="3.9495197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19077896" y3="1.17957752" z3="3.14509055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68766254" y3="0.80816296" z3="5.21469753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23107577" y3="1.7217281" z3="5.53593333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62155016" y3="1.10179923" z3="5.15852356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87044927" y3="-0.20215047" z3="6.35147919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29312006" y3="-0.76428547" z3="8.74784485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27361071" y3="-1.24332794" z3="8.94526721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0134045" y3="-0.23310827" z3="9.68404825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28025021" y3="-1.89302957" z3="8.49159358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60806683" y3="-2.43584621" z3="7.58979044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31332448" y3="-2.6131552" z3="9.33336719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1503015" y3="-1.3989411" z3="8.29041072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51979115" y3="-0.92758591" z3="9.22695489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13399948" y3="-0.59983083" z3="7.52777098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.1444787" y3="-2.47643176" z3="7.84360389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12735341" y3="-2.00400705" z3="7.64489256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.80257838" y3="-2.89562618" z3="6.87587323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33709839" y3="-3.6160515" z3="8.84417247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63915582" y3="-3.22605469" z3="9.83485823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.40469229" y3="-4.1903466" z3="8.98518425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.11820859" y3="-4.32179324" z3="8.50752967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4844672" y3="-1.27189655" z3="6.14838708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42964807" y3="0.23377495" z3="7.62541218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73175099" y3="1.07945791" z3="7.63054606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31421302" y3="0.80744775" z3="5.87404334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53172021" y3="1.50596589" z3="5.54287471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25004001" y3="1.03847421" z3="5.33330638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98973131" y3="-0.21175888" z3="5.60604259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49871632" y3="0.93533782" z3="7.38427062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74276404" y3="1.98356505" z3="7.63344958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36651857" y3="0.31883879" z3="7.70007605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27586318" y3="0.4936353" z3="8.188891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94904388" y3="-0.49701682" z3="7.81580496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56193662" y3="0.35293799" z3="9.25294458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11127584" y3="1.50800033" z3="8.15338601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.154536" y3="2.51011766" z3="7.42056729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59213883" y3="1.58584532" z3="9.14536903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8087,-1.2751,1.8963;-3.8456,-1.6516,1.9643;-2.1809,-2.0925,1.496;-2.8033,-.4532,1.1555;-2.3167,-.7978,3.2609;-1.2666,-.4545,3.1737;-2.3236,-1.6373,3.9759;-3.1701,.3253,3.8515;-4.2086,-.0354,3.9495;-3.1908,1.1796,3.1451;-2.6877,.8082,5.2147;-3.2311,1.7217,5.5359;-1.6216,1.1018,5.1585;-2.8704,-.2022,6.3515;-2.2931,-.7643,8.7478;-3.2736,-1.2433,8.9453;-2.0134,-.2331,9.684;-1.2803,-1.893,8.4916;-1.6081,-2.4358,7.5898;-1.3133,-2.6132,9.3334;.1503,-1.3989,8.2904;.5198,-.9276,9.227;.134,-.5998,7.5278;1.1445,-2.4764,7.8436;2.1274,-2.004,7.6449;.8026,-2.8956,6.8759;1.3371,-3.6161,8.8442;1.6392,-3.2261,9.8349;.4047,-4.1903,8.9852;2.1182,-4.3218,8.5075;-3.4845,-1.2719,6.1484;-2.4296,.2338,7.6254;-1.7318,1.0795,7.6305;-6.3142,.8074,5.874;-5.5317,1.506,5.5429;-7.25,1.0385,5.3333;-5.9897,-.2118,5.606;-6.4987,.9353,7.3843;-6.7428,1.9836,7.6334;-7.3665,.3188,7.7001;-5.2759,.4936,8.1889;-4.949,-.497,7.8158;-5.5619,.3529,9.2529;-4.1113,1.508,8.1534;-4.1545,2.5101,7.4206;-3.5921,1.5858,9.1454;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724441265361</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004088690399 0.001122947324 0.031881847826 0.008511333451</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043647758 -0.002866310 0.000284768 0.000287230 0.000399714 0.000686878 0.000753566 0.001466236 0.002225885 0.002762704 0.002913344 0.004343017 0.005773487 0.006023853 0.006453221 0.008148639 0.009280284 0.009943169 0.011116722 0.011761246 0.013504657 0.015369690 0.017322095 0.019246997 0.021803882 0.022590962 0.025017060 0.027730412 0.030065964 0.032968496 0.034063495 0.037908192 0.039599691 0.044169653 0.045902006 0.047397904 0.048919280 0.050260181 0.050597489 0.050932487 0.052728377 0.053094164 0.056541123 0.058359406 0.059083367 0.059576000 0.065699832 0.066299238 0.067461203 0.072808637 0.076328707 0.077357595 0.078212935 0.080037471 0.081605547 0.085039291 0.087790815 0.091516422 0.093574626 0.100118812 0.105409326 0.110599569 0.111463178 0.112981035 0.113744409 0.119212948 0.121596328 0.127997585 0.128580240 0.136618577 0.141039881 0.145282582 0.147529232 0.153591404 0.158237910 0.165993691 0.172186780 0.176922918 0.181312087 0.184594952 0.195587094 0.205355677 0.216244464 0.217416896 0.226811783 0.243147021 0.256983705 0.261841214 0.268523605 0.299216647 0.301863215 0.318545017 0.343589518 0.409055479 0.435813342 0.467316887 0.524466102 0.568127244 0.584527129 0.602605102 0.638776078 0.677959959 0.700986770 0.748009995 0.755417935 0.757641464 0.774423607 0.775422138 0.783396874 0.785579106 0.789578667 0.803663153 0.811923746 0.820698986 0.825684846 0.850452099 0.853510192 0.857703004 0.863226138 0.870302417 0.892635478 0.896205617 0.913081305 0.918668066 0.920270509 0.965108885 0.967532609 0.976770526 0.982811018 1.032265780 1.380590449 1.484796567</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">96</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78790043" y3="-1.28665276" z3="1.90495884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82039789" y3="-1.67530032" z3="1.97164519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14900634" y3="-2.09843327" z3="1.51078325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.78988047" y3="-0.46836876" z3="1.16003278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30530113" y3="-0.7970347" z3="3.26854051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25844417" y3="-0.4437697" z3="3.18319053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30610079" y3="-1.63312895" z3="3.98748707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17084102" y3="0.3207501" z3="3.85173671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20676198" y3="-0.04803585" z3="3.9478252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19622765" y3="1.17237176" z3="3.14227035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69620159" y3="0.81137922" z3="5.21494835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24950831" y3="1.71981437" z3="5.5345126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63327998" y3="1.11646605" z3="5.16097204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87265825" y3="-0.19848214" z3="6.35291301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29228368" y3="-0.75544537" z3="8.75164714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26718267" y3="-1.23568323" z3="8.94441838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.01874518" y3="-0.22611737" z3="9.68435587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28121216" y3="-1.88742033" z3="8.49396753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62651132" y3="-2.43788095" z3="7.59363077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31367406" y3="-2.60274053" z3="9.34091079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15333537" y3="-1.39953318" z3="8.28204576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52305258" y3="-0.93062968" z3="9.21642418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13705684" y3="-0.59918876" z3="7.5208802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.14153382" y3="-2.47846805" z3="7.83333703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12140273" y3="-2.00586904" z3="7.64202163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.80663705" y3="-2.89079584" z3="6.86615093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32925334" y3="-3.62307393" z3="8.82873997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63433385" y3="-3.23800664" z3="9.81944541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39576193" y3="-4.19498288" z3="8.96891423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.10648047" y3="-4.33090893" z3="8.48718763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48478372" y3="-1.26940306" z3="6.15183298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43278944" y3="0.24129239" z3="7.6274192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73307372" y3="1.08564757" z3="7.62812804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32179758" y3="0.8139724" z3="5.88032522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54059941" y3="1.51531995" z3="5.54855834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26104818" y3="1.04486819" z3="5.33983331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99101588" y3="-0.20415289" z3="5.60621417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50266466" y3="0.93582595" z3="7.39215966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74963989" y3="1.98487637" z3="7.64561259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36410108" y3="0.31442141" z3="7.70262649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27399732" y3="0.49325903" z3="8.19212985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95241093" y3="-0.49356273" z3="7.8135607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55561402" y3="0.34691596" z3="9.25326373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10796252" y3="1.50678644" z3="8.15064815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15543803" y3="2.50825312" z3="7.41537348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59376136" y3="1.59130579" z3="9.14430848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7879,-1.2867,1.905;-3.8204,-1.6753,1.9716;-2.149,-2.0984,1.5108;-2.7899,-.4684,1.16;-2.3053,-.797,3.2685;-1.2584,-.4438,3.1832;-2.3061,-1.6331,3.9875;-3.1708,.3208,3.8517;-4.2068,-.048,3.9478;-3.1962,1.1724,3.1423;-2.6962,.8114,5.2149;-3.2495,1.7198,5.5345;-1.6333,1.1165,5.161;-2.8727,-.1985,6.3529;-2.2923,-.7554,8.7516;-3.2672,-1.2357,8.9444;-2.0187,-.2261,9.6844;-1.2812,-1.8874,8.494;-1.6265,-2.4379,7.5936;-1.3137,-2.6027,9.3409;.1533,-1.3995,8.282;.5231,-.9306,9.2164;.1371,-.5992,7.5209;1.1415,-2.4785,7.8333;2.1214,-2.0059,7.642;.8066,-2.8908,6.8662;1.3293,-3.6231,8.8287;1.6343,-3.238,9.8194;.3958,-4.195,8.9689;2.1065,-4.3309,8.4872;-3.4848,-1.2694,6.1518;-2.4328,.2413,7.6274;-1.7331,1.0856,7.6281;-6.3218,.814,5.8803;-5.5406,1.5153,5.5486;-7.261,1.0449,5.3398;-5.991,-.2042,5.6062;-6.5027,.9358,7.3922;-6.7496,1.9849,7.6456;-7.3641,.3144,7.7026;-5.274,.4933,8.1921;-4.9524,-.4936,7.8136;-5.5556,.3469,9.2533;-4.108,1.5068,8.1506;-4.1554,2.5083,7.4154;-3.5938,1.5913,9.1443;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724441306956</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004116913426 0.001110916246 0.030900309833 0.008513061506</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043622750 -0.003398217 0.000286737 0.000298298 0.000414379 0.000689837 0.000758108 0.001467735 0.002292743 0.002862827 0.002968538 0.004374978 0.005774167 0.006002229 0.006578843 0.008417899 0.009397235 0.009950887 0.011117590 0.011780822 0.013532552 0.015509730 0.017378234 0.019667534 0.021856907 0.023117813 0.025015250 0.027900526 0.030065876 0.033042656 0.034077251 0.038285329 0.039645281 0.044201596 0.045962976 0.047396101 0.048979779 0.050260883 0.050634213 0.050990025 0.052757261 0.053126400 0.056616923 0.058374543 0.059272681 0.060208010 0.065695425 0.066301011 0.067555888 0.072810872 0.076367361 0.077661586 0.078221084 0.080030121 0.081608731 0.085071589 0.087881905 0.091547761 0.093593975 0.100118492 0.105483296 0.110611743 0.111500333 0.112992736 0.113782072 0.119213246 0.122186735 0.128025557 0.128766065 0.136672230 0.141347693 0.145450361 0.147530142 0.153598894 0.158281681 0.166006487 0.172189420 0.176981887 0.181900754 0.184635901 0.196083621 0.205390400 0.216257198 0.217418117 0.226813995 0.243225033 0.257121485 0.261866507 0.268520100 0.299358898 0.301914933 0.318950376 0.343741240 0.409289190 0.435921751 0.467571890 0.525646281 0.569094323 0.585260286 0.602638915 0.640100926 0.678796111 0.701202555 0.748704389 0.755800186 0.757943312 0.774455237 0.775518695 0.783413636 0.785593005 0.789621464 0.804337381 0.812730977 0.820749465 0.825687350 0.850548283 0.853604121 0.857732592 0.863444715 0.871554889 0.892640759 0.896315225 0.913104917 0.918666735 0.920271581 0.965131556 0.967538936 0.976775239 0.983106160 1.032412338 1.380589509 1.484796326</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">97</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.76830061" y3="-1.29629913" z3="1.91401139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79540932" y3="-1.69870226" z3="1.98177182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.11810603" y3="-2.1011341" z3="1.52432011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.78077431" y3="-0.4816905" z3="1.16527519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29326866" y3="-0.79406416" z3="3.27561833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25018413" y3="-0.42994313" z3="3.19022112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28602979" y3="-1.62658904" z3="3.99860957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17115885" y3="0.31734756" z3="3.85228533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20384005" y3="-0.06063078" z3="3.94704127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20244079" y3="1.16654953" z3="3.14036609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70411029" y3="0.81521725" z3="5.21533628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26652266" y3="1.7187893" z3="5.53391666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64398089" y3="1.13075725" z3="5.16366495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8747248" y3="-0.19485648" z3="6.3531485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29102168" y3="-0.75128385" z3="8.74984325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27008618" y3="-1.2284726" z3="8.9536524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.0053614" y3="-0.21807804" z3="9.683179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.2815541" y3="-1.88312092" z3="8.49248149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61253225" y3="-2.42817221" z3="7.5957634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31284156" y3="-2.59911017" z3="9.33800577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15033466" y3="-1.39728059" z3="8.28493639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52579614" y3="-0.93292" z3="9.21950395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13576423" y3="-0.5954006" z3="7.52526231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.1335592" y3="-2.48070601" z3="7.82590734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12175446" y3="-2.01620292" z3="7.62249096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.78029102" y3="-2.89134525" z3="6.85630189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32238157" y3="-3.63003152" z3="8.81602384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63309082" y3="-3.25196096" z3="9.80797313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38779094" y3="-4.19910349" z3="8.95580688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09555942" y3="-4.33912543" z3="8.46785921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48316884" y3="-1.26765913" z3="6.15374935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43599766" y3="0.24681668" z3="7.62751659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73453152" y3="1.08972933" z3="7.62728161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32899534" y3="0.81590699" z3="5.88235556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55412994" y3="1.52121371" z3="5.54038218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26940228" y3="1.0472114" z3="5.34597502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00646845" y3="-0.20315425" z3="5.60935789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50429283" y3="0.93615624" z3="7.3952054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75458614" y3="1.9827697" z3="7.65278448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36598761" y3="0.31282734" z3="7.70924994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27246308" y3="0.49429748" z3="8.19256925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95031422" y3="-0.49294133" z3="7.81259939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54931446" y3="0.34849889" z3="9.25521847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1066392" y3="1.50887272" z3="8.14856279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15737799" y3="2.50959347" z3="7.41112445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59437333" y3="1.59788024" z3="9.14337806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7683,-1.2963,1.914;-3.7954,-1.6987,1.9818;-2.1181,-2.1011,1.5243;-2.7808,-.4817,1.1653;-2.2933,-.7941,3.2756;-1.2502,-.4299,3.1902;-2.286,-1.6266,3.9986;-3.1712,.3173,3.8523;-4.2038,-.0606,3.947;-3.2024,1.1665,3.1404;-2.7041,.8152,5.2153;-3.2665,1.7188,5.5339;-1.644,1.1308,5.1637;-2.8747,-.1949,6.3531;-2.291,-.7513,8.7498;-3.2701,-1.2285,8.9537;-2.0054,-.2181,9.6832;-1.2816,-1.8831,8.4925;-1.6125,-2.4282,7.5958;-1.3128,-2.5991,9.338;.1503,-1.3973,8.2849;.5258,-.9329,9.2195;.1358,-.5954,7.5253;1.1336,-2.4807,7.8259;2.1218,-2.0162,7.6225;.7803,-2.8913,6.8563;1.3224,-3.63,8.816;1.6331,-3.252,9.808;.3878,-4.1991,8.9558;2.0956,-4.3391,8.4679;-3.4832,-1.2677,6.1537;-2.436,.2468,7.6275;-1.7345,1.0897,7.6273;-6.329,.8159,5.8824;-5.5541,1.5212,5.5404;-7.2694,1.0472,5.346;-6.0065,-.2032,5.6094;-6.5043,.9362,7.3952;-6.7546,1.9828,7.6528;-7.366,.3128,7.7092;-5.2725,.4943,8.1926;-4.9503,-.4929,7.8126;-5.5493,.3485,9.2552;-4.1066,1.5089,8.1486;-4.1574,2.5096,7.4111;-3.5944,1.5979,9.1434;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724426374355</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004730331411 0.001233920790 0.025972408378 0.008513968591</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043504677 -0.003641079 0.000286948 0.000337680 0.000434514 0.000691520 0.000767400 0.001470121 0.002341632 0.002865949 0.002964807 0.004385875 0.005774757 0.006027890 0.006631466 0.008733055 0.009459902 0.009980733 0.011140444 0.011983150 0.013572780 0.015727916 0.017421640 0.020147953 0.021873258 0.023618111 0.025214089 0.028357346 0.030067723 0.033129121 0.034076123 0.038728428 0.039764539 0.044447833 0.046034635 0.047603960 0.048986547 0.050264067 0.050643953 0.051046572 0.052815339 0.053350400 0.056646028 0.058384313 0.059330000 0.061011402 0.065722468 0.066313615 0.067781845 0.072812225 0.076410286 0.078010768 0.078231456 0.080034629 0.081611836 0.085295198 0.087957657 0.091655270 0.093605171 0.100121920 0.105504266 0.110706821 0.111497896 0.113001729 0.113791546 0.119213661 0.122207937 0.128030929 0.129061727 0.136781231 0.141750810 0.145568349 0.147543698 0.153611772 0.158349937 0.166018421 0.172216781 0.177263050 0.182124691 0.184644680 0.196923411 0.205545724 0.216307598 0.217420314 0.226875006 0.243222800 0.257203002 0.261913725 0.268624748 0.299539260 0.302042100 0.319432681 0.343976218 0.409375411 0.435931268 0.467977696 0.527171773 0.570428696 0.585355811 0.603181535 0.641053342 0.679345521 0.701201381 0.748967478 0.756314061 0.758668180 0.774507821 0.775840553 0.783414013 0.785593250 0.789644949 0.805595440 0.814290448 0.820752250 0.825700100 0.850636154 0.853730473 0.858044410 0.863641517 0.872895592 0.892672819 0.896471953 0.913146667 0.918766417 0.920272770 0.965145290 0.967568280 0.976779450 0.983334717 1.032542141 1.380642032 1.484796045</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">98</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.7520125" y3="-1.30493054" z3="1.92443244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77404854" y3="-1.71993954" z3="1.99566878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.09213362" y3="-2.10356172" z3="1.53789993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77562914" y3="-0.49406636" z3="1.17172845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28174197" y3="-0.79017941" z3="3.28295854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24251035" y3="-0.41542947" z3="3.19527153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26544676" y3="-1.61892893" z3="4.01025962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1709907" y3="0.31477801" z3="3.85463525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20013259" y3="-0.07277261" z3="3.94987334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20927424" y3="1.16152153" z3="3.14006192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.7097837" y3="0.81997616" z3="5.21697441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2799985" y3="1.71962201" z3="5.53270502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65219155" y3="1.14403086" z3="5.16606599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87428994" y3="-0.1896675" z3="6.35643192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28657186" y3="-0.74056521" z3="8.75519185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26405529" y3="-1.21540476" z3="8.96019023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.00086908" y3="-0.20755613" z3="9.68435221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28253181" y3="-1.87896792" z3="8.49452554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6323548" y3="-2.4271381" z3="7.59607455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31490986" y3="-2.59401632" z3="9.34077167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15294028" y3="-1.40172058" z3="8.27723043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53807836" y3="-0.94211161" z3="9.21310466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1374374" y3="-0.59598729" z3="7.5217856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12919598" y3="-2.4860638" z3="7.81461845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10980713" y3="-2.01983691" z3="7.62346145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.78705203" y3="-2.88744607" z3="6.84706071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31425163" y3="-3.64028303" z3="8.79992009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63418567" y3="-3.26642432" z3="9.7916174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37455906" y3="-4.20330681" z3="8.94514202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08112968" y3="-4.35365019" z3="8.44529294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48180409" y3="-1.26389118" z3="6.1591835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43177645" y3="0.25364981" z3="7.62894148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73356614" y3="1.09918362" z3="7.62634434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3374809" y3="0.81506617" z3="5.88340758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56698514" y3="1.52445602" z3="5.5482485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.28276629" y3="1.03322833" z3="5.35045033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00128919" y3="-0.1993282" z3="5.60616099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5072238" y3="0.93362403" z3="7.39616254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75779508" y3="1.97897032" z3="7.65551319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36505961" y3="0.30666694" z3="7.7153322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27299096" y3="0.49651038" z3="8.18848753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94899678" y3="-0.49094095" z3="7.80985195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54918781" y3="0.35421214" z3="9.25424258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11153415" y3="1.5161305" z3="8.14466884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16335532" y3="2.51538037" z3="7.40631893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59931754" y3="1.6075645" z3="9.13926681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.752,-1.3049,1.9244;-3.774,-1.7199,1.9957;-2.0921,-2.1036,1.5379;-2.7756,-.4941,1.1717;-2.2817,-.7902,3.283;-1.2425,-.4154,3.1953;-2.2654,-1.6189,4.0103;-3.171,.3148,3.8546;-4.2001,-.0728,3.9499;-3.2093,1.1615,3.1401;-2.7098,.82,5.217;-3.28,1.7196,5.5327;-1.6522,1.144,5.1661;-2.8743,-.1897,6.3564;-2.2866,-.7406,8.7552;-3.2641,-1.2154,8.9602;-2.0009,-.2076,9.6844;-1.2825,-1.879,8.4945;-1.6324,-2.4271,7.5961;-1.3149,-2.594,9.3408;.1529,-1.4017,8.2772;.5381,-.9421,9.2131;.1374,-.596,7.5218;1.1292,-2.4861,7.8146;2.1098,-2.0198,7.6235;.7871,-2.8874,6.8471;1.3143,-3.6403,8.7999;1.6342,-3.2664,9.7916;.3746,-4.2033,8.9451;2.0811,-4.3537,8.4453;-3.4818,-1.2639,6.1592;-2.4318,.2536,7.6289;-1.7336,1.0992,7.6263;-6.3375,.8151,5.8834;-5.567,1.5245,5.5482;-7.2828,1.0332,5.3505;-6.0013,-.1993,5.6062;-6.5072,.9336,7.3962;-6.7578,1.979,7.6555;-7.3651,.3067,7.7153;-5.273,.4965,8.1885;-4.949,-.4909,7.8099;-5.5492,.3542,9.2542;-4.1115,1.5161,8.1447;-4.1634,2.5154,7.4063;-3.5993,1.6076,9.1393;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724424171006</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004767609952 0.001142409985 0.032050710138 0.008511455731</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043390660 -0.003242051 0.000318594 0.000371555 0.000491697 0.000690046 0.000763712 0.001489960 0.002338046 0.002869583 0.002963749 0.004402329 0.005775064 0.006146259 0.006628879 0.008980015 0.009455152 0.010004682 0.011249715 0.012206889 0.013581279 0.015862655 0.017502988 0.020420021 0.021906823 0.023768926 0.025457805 0.028808390 0.030076646 0.033286728 0.034094592 0.038901183 0.039855491 0.044438031 0.046107844 0.048221333 0.049014668 0.050263165 0.050642087 0.051048716 0.052867602 0.054101542 0.056648688 0.058379533 0.059354591 0.061312117 0.065795672 0.066317901 0.067840941 0.072821882 0.076449568 0.078069409 0.078533586 0.080115271 0.081628601 0.085515909 0.088017239 0.091740915 0.093612105 0.100190028 0.105521703 0.110763347 0.111516053 0.113002724 0.113792614 0.119214054 0.122380409 0.128095269 0.129175629 0.136861420 0.142124977 0.145556609 0.147634595 0.153613850 0.158459567 0.166108926 0.172273763 0.177613674 0.182282005 0.184649747 0.197693464 0.205546407 0.216375497 0.217425244 0.226895386 0.243223987 0.257204596 0.261964539 0.268639391 0.299850454 0.302241501 0.319822587 0.344184921 0.409380152 0.435938268 0.468758774 0.528326845 0.571398548 0.585354614 0.605207187 0.641080586 0.679399153 0.701603709 0.748967622 0.756741219 0.759409391 0.774783983 0.776233754 0.783544479 0.785647034 0.789733356 0.806436669 0.815880589 0.820753416 0.825706907 0.850666207 0.853813239 0.858143371 0.863980036 0.874125083 0.892678887 0.896540317 0.913146088 0.918960445 0.920299100 0.965263325 0.967567349 0.976788744 0.983356757 1.033085407 1.380642902 1.484806988</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">99</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.73720504" y3="-1.31133853" z3="1.93307619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.75394252" y3="-1.73814937" z3="2.00960889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.06907819" y3="-2.10372542" z3="1.54804741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77284152" y3="-0.50417695" z3="1.17682135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.2688717" y3="-0.78503246" z3="3.28779707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23404966" y3="-0.39935293" z3="3.19561638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24173724" y3="-1.61021173" z3="4.01884492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16827478" y3="0.31286098" z3="3.85689275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19372271" y3="-0.08402738" z3="3.95337368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21455791" y3="1.15766128" z3="3.14055694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71117067" y3="0.82430573" z3="5.21821815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28757448" y3="1.72076095" z3="5.53126611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65589472" y3="1.15549208" z3="5.16718716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87020709" y3="-0.18468825" z3="6.35923546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28206273" y3="-0.73157494" z3="8.75792733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26032283" y3="-1.20288456" z3="8.96807878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99102359" y3="-0.19679427" z3="9.68521041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28319395" y3="-1.87270187" z3="8.49765107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63329058" y3="-2.42001699" z3="7.60400756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3156844" y3="-2.5850572" z3="9.34692082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15364242" y3="-1.39998728" z3="8.27521641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53911211" y3="-0.94216163" z3="9.20657258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13985537" y3="-0.59621673" z3="7.51742034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12109307" y3="-2.49142146" z3="7.80458005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11369796" y3="-2.03649489" z3="7.59433564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75500132" y3="-2.89390489" z3="6.83572804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.30403682" y3="-3.64724877" z3="8.78759253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62488703" y3="-3.27692748" z3="9.77725802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.36506937" y3="-4.2071796" z3="8.93200853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.06599467" y3="-4.36283034" z3="8.43098043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47463685" y3="-1.26149764" z3="6.16295579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42805798" y3="0.26036126" z3="7.63027987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73507849" y3="1.11003779" z3="7.62823249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.34025434" y3="0.80936848" z3="5.88564786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57244733" y3="1.52132854" z3="5.54333747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.28598639" y3="1.0244877" z3="5.35096492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99598054" y3="-0.20483248" z3="5.61145155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51346423" y3="0.929653" z3="7.39969991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77115456" y3="1.9745789" z3="7.65754475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36661289" y3="0.29882514" z3="7.71498317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27568408" y3="0.49894129" z3="8.19395668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94830067" y3="-0.48775664" z3="7.81848754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55205046" y3="0.35814416" z3="9.25568481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11743538" y3="1.52063624" z3="8.14554754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17148743" y3="2.51585844" z3="7.40275445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60302103" y3="1.6153469" z3="9.13832845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7372,-1.3113,1.9331;-3.7539,-1.7381,2.0096;-2.0691,-2.1037,1.548;-2.7728,-.5042,1.1768;-2.2689,-.785,3.2878;-1.234,-.3994,3.1956;-2.2417,-1.6102,4.0188;-3.1683,.3129,3.8569;-4.1937,-.084,3.9534;-3.2146,1.1577,3.1406;-2.7112,.8243,5.2182;-3.2876,1.7208,5.5313;-1.6559,1.1555,5.1672;-2.8702,-.1847,6.3592;-2.2821,-.7316,8.7579;-3.2603,-1.2029,8.9681;-1.991,-.1968,9.6852;-1.2832,-1.8727,8.4977;-1.6333,-2.42,7.604;-1.3157,-2.5851,9.3469;.1536,-1.4,8.2752;.5391,-.9422,9.2066;.1399,-.5962,7.5174;1.1211,-2.4914,7.8046;2.1137,-2.0365,7.5943;.755,-2.8939,6.8357;1.304,-3.6472,8.7876;1.6249,-3.2769,9.7773;.3651,-4.2072,8.932;2.066,-4.3628,8.431;-3.4746,-1.2615,6.163;-2.4281,.2604,7.6303;-1.7351,1.11,7.6282;-6.3403,.8094,5.8856;-5.5724,1.5213,5.5433;-7.286,1.0245,5.351;-5.996,-.2048,5.6115;-6.5135,.9297,7.3997;-6.7712,1.9746,7.6575;-7.3666,.2988,7.715;-5.2757,.4989,8.194;-4.9483,-.4878,7.8185;-5.5521,.3581,9.2557;-4.1174,1.5206,8.1455;-4.1715,2.5159,7.4028;-3.603,1.6153,9.1383;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724422891638</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006491593321 0.001113660880 0.025149321494 0.008511031553</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043366087 -0.003414163 0.000360825 0.000370145 0.000465607 0.000693141 0.000801036 0.001482887 0.002339359 0.002871327 0.002963175 0.004463211 0.005778468 0.006157482 0.006632179 0.009121991 0.009528874 0.010042305 0.011436795 0.012471795 0.013654328 0.015875164 0.017567902 0.020543911 0.021922637 0.023777684 0.025589852 0.029030570 0.030092041 0.033351822 0.034255538 0.038922745 0.039874493 0.044650483 0.046180350 0.048527402 0.049233951 0.050262040 0.050683994 0.051051163 0.052877363 0.055425139 0.056703226 0.058456819 0.059408762 0.061328303 0.065870599 0.066323190 0.067836607 0.072826948 0.076473382 0.078067119 0.078697812 0.080173957 0.081630820 0.085589515 0.088011408 0.091787443 0.093611926 0.100401575 0.105532593 0.110758916 0.111519946 0.113007525 0.113869461 0.119214116 0.123087647 0.128114266 0.129190644 0.136853128 0.142347369 0.145909709 0.147902985 0.153615729 0.158497917 0.166231165 0.172377737 0.177950479 0.182350426 0.184650073 0.198132536 0.205574568 0.216374832 0.217427982 0.226983536 0.243221421 0.257208578 0.261974435 0.268845554 0.299834991 0.302370677 0.319958641 0.344257204 0.409477486 0.435939901 0.469393910 0.528672576 0.571768698 0.585372484 0.609071120 0.641242320 0.679492288 0.702007619 0.749177704 0.756926628 0.759705990 0.774794233 0.776901299 0.784117735 0.786052336 0.789817108 0.806797639 0.816600573 0.820766397 0.825712543 0.850709942 0.853902748 0.858406948 0.864495397 0.874686223 0.892679027 0.896550729 0.913157850 0.919000552 0.920299880 0.965328157 0.967599225 0.976788446 0.983456134 1.033664815 1.380642925 1.484848436</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">100</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.72735255" y3="-1.31592568" z3="1.94157957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.73937204" y3="-1.75233585" z3="2.02514189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.05359331" y3="-2.10302107" z3="1.55582506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77493973" y3="-0.51198427" z3="1.1826012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.25722363" y3="-0.78019312" z3="3.29194433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22614376" y3="-0.38601561" z3="3.19333276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21979558" y3="-1.60229684" z3="4.02610927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16352672" y3="0.31224507" z3="3.86061079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18594857" y3="-0.09188504" z3="3.95863572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2163238" y3="1.1557875" z3="3.14322863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.708885" y3="0.82802719" z3="5.22107111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28749293" y3="1.72387989" z3="5.53106488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6542822" y3="1.16120996" z3="5.16979169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86598748" y3="-0.17982124" z3="6.36383591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27902496" y3="-0.72110984" z3="8.76351957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25947193" y3="-1.18683552" z3="8.98321029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.9773166" y3="-0.18404697" z3="9.6879456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28752988" y3="-1.86778431" z3="8.49960184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64234919" y3="-2.41242509" z3="7.60791621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31743078" y3="-2.57941678" z3="9.34894378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14819669" y3="-1.40212329" z3="8.26704222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.55185922" y3="-0.94534178" z3="9.19855734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13198804" y3="-0.59705445" z3="7.51054455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10802874" y3="-2.49603274" z3="7.7904595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09224864" y3="-2.04084546" z3="7.58948148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75130768" y3="-2.8918028" z3="6.82598325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.29005942" y3="-3.65433645" z3="8.7715884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62681301" y3="-3.2870334" z3="9.76164611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.34554356" y3="-4.20652539" z3="8.92497233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.04445564" y3="-4.37635771" z3="8.40583111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46638279" y3="-1.2593097" z3="6.16795134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42415672" y3="0.26704928" z3="7.63291907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73716426" y3="1.12142719" z3="7.63197841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.33875621" y3="0.79708329" z3="5.88489981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57871713" y3="1.51412758" z3="5.53715241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.28538374" y3="1.00276841" z3="5.35092631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99522436" y3="-0.21656065" z3="5.61829433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51231218" y3="0.92246484" z3="7.39558157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77435458" y3="1.96537792" z3="7.64963485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36612066" y3="0.29070611" z3="7.71610472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27561944" y3="0.50081639" z3="8.19437935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94120315" y3="-0.48837204" z3="7.82702979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55344223" y3="0.36886263" z3="9.25917768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12509344" y3="1.52970864" z3="8.14743548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17978363" y3="2.52277748" z3="7.40383745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60676427" y3="1.62292996" z3="9.13856928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7274,-1.3159,1.9416;-3.7394,-1.7523,2.0251;-2.0536,-2.103,1.5558;-2.7749,-.512,1.1826;-2.2572,-.7802,3.2919;-1.2261,-.386,3.1933;-2.2198,-1.6023,4.0261;-3.1635,.3122,3.8606;-4.1859,-.0919,3.9586;-3.2163,1.1558,3.1432;-2.7089,.828,5.2211;-3.2875,1.7239,5.5311;-1.6543,1.1612,5.1698;-2.866,-.1798,6.3638;-2.279,-.7211,8.7635;-3.2595,-1.1868,8.9832;-1.9773,-.184,9.6879;-1.2875,-1.8678,8.4996;-1.6423,-2.4124,7.6079;-1.3174,-2.5794,9.3489;.1482,-1.4021,8.267;.5519,-.9453,9.1986;.132,-.5971,7.5105;1.108,-2.496,7.7905;2.0922,-2.0408,7.5895;.7513,-2.8918,6.826;1.2901,-3.6543,8.7716;1.6268,-3.287,9.7616;.3455,-4.2065,8.925;2.0445,-4.3764,8.4058;-3.4664,-1.2593,6.168;-2.4242,.267,7.6329;-1.7372,1.1214,7.632;-6.3388,.7971,5.8849;-5.5787,1.5141,5.5372;-7.2854,1.0028,5.3509;-5.9952,-.2166,5.6183;-6.5123,.9225,7.3956;-6.7744,1.9654,7.6496;-7.3661,.2907,7.7161;-5.2756,.5008,8.1944;-4.9412,-.4884,7.827;-5.5534,.3689,9.2592;-4.1251,1.5297,8.1474;-4.1798,2.5228,7.4038;-3.6068,1.6229,9.1386;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724418007900</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007344181405 0.001154546081 0.031696680717 0.008513573003</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043371634 -0.003691361 0.000360441 0.000377835 0.000438367 0.000688295 0.000782155 0.001485376 0.002346915 0.002873767 0.002963564 0.004466931 0.005778029 0.006195540 0.006634295 0.009161991 0.009561870 0.010045234 0.011631661 0.012495323 0.013891912 0.015905531 0.017627496 0.020600498 0.022009142 0.023804975 0.025607762 0.029122307 0.030094530 0.033373819 0.034388875 0.038935734 0.039879881 0.045145151 0.046227789 0.048581897 0.049638169 0.050268434 0.050802956 0.051148879 0.052877044 0.056575210 0.057265849 0.058967180 0.059575352 0.061408252 0.065913388 0.066322517 0.067882361 0.072901729 0.076500842 0.078063313 0.078753578 0.080214978 0.081631064 0.085581285 0.088082970 0.091783684 0.093622488 0.100744346 0.105539437 0.110766268 0.111524726 0.113052501 0.114228007 0.119217019 0.123881571 0.128111050 0.129193027 0.136881634 0.142365863 0.146423077 0.148402053 0.153617198 0.158518461 0.166333822 0.172579100 0.178206083 0.182353173 0.184652662 0.198431721 0.205612591 0.216380255 0.217430267 0.226972239 0.243218153 0.257260139 0.261975502 0.269009100 0.299866093 0.302378894 0.319959408 0.344254621 0.409660529 0.435944016 0.469701725 0.528731108 0.571849661 0.585370822 0.614412026 0.642398471 0.680002362 0.702097143 0.749774183 0.757046565 0.759703364 0.774818788 0.777550728 0.784594197 0.787313458 0.790116315 0.806905745 0.816742587 0.820803291 0.825715059 0.850737002 0.853970412 0.858966466 0.864811470 0.874893701 0.892679931 0.896593794 0.913166964 0.919021471 0.920299932 0.965320440 0.967597363 0.976791232 0.983535143 1.033661490 1.380649420 1.484854327</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">101</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71944266" y3="-1.31904694" z3="1.9477599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.72722758" y3="-1.76366108" z3="2.0383054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.04131462" y3="-2.10137357" z3="1.55999304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77824493" y3="-0.51744517" z3="1.18708745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.24644202" y3="-0.77595143" z3="3.29413451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.21856646" y3="-0.37513962" z3="3.18920698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.19989392" y3="-1.59567813" z3="4.03050973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15782869" y3="0.31194655" z3="3.8633596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17775675" y3="-0.09782042" z3="3.96303894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21574175" y3="1.15459352" z3="3.14528534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70508279" y3="0.83097607" z3="5.2232411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28482747" y3="1.72700704" z3="5.53003611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65055498" y3="1.16428377" z3="5.17221024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86237167" y3="-0.17501469" z3="6.36823826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27355474" y3="-0.70980356" z3="8.770498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25365248" y3="-1.17094318" z3="8.99560953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.96820431" y3="-0.17293076" z3="9.69076274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28820703" y3="-1.86156253" z3="8.50205985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6605035" y3="-2.40695907" z3="7.61120378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31752859" y3="-2.57298064" z3="9.35146468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14778869" y3="-1.40063739" z3="8.263702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54509571" y3="-0.9495314" z3="9.1911297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12820605" y3="-0.59387427" z3="7.50921845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0995527" y3="-2.49826862" z3="7.78106045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.0922582" y3="-2.05192294" z3="7.56465572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.719611" y3="-2.89248987" z3="6.81447186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.27956964" y3="-3.65909864" z3="8.75881571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61542807" y3="-3.29451354" z3="9.7452022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.33340828" y3="-4.20553594" z3="8.91364653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.02781372" y3="-4.38425122" z3="8.39268058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46135003" y3="-1.255971" z3="6.17300271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42009788" y3="0.27414401" z3="7.63605093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7380484" y3="1.13248204" z3="7.63399842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.33538982" y3="0.78244739" z3="5.88390631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57805564" y3="1.50227899" z3="5.54111738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.28429526" y3="0.97450734" z3="5.34463497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97257655" y3="-0.23038912" z3="5.62271556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51427452" y3="0.91722509" z3="7.39631073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77840402" y3="1.96166489" z3="7.64185817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36345175" y3="0.28292424" z3="7.71844586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27866859" y3="0.50347212" z3="8.2000865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93866999" y3="-0.48494417" z3="7.84029189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56224999" y3="0.37699809" z3="9.26407232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13161053" y3="1.53509354" z3="8.15006252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.18915314" y3="2.52573255" z3="7.40429311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60945783" y3="1.63041792" z3="9.13845245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7194,-1.319,1.9478;-3.7272,-1.7637,2.0383;-2.0413,-2.1014,1.56;-2.7782,-.5174,1.1871;-2.2464,-.776,3.2941;-1.2186,-.3751,3.1892;-2.1999,-1.5957,4.0305;-3.1578,.3119,3.8634;-4.1778,-.0978,3.963;-3.2157,1.1546,3.1453;-2.7051,.831,5.2232;-3.2848,1.727,5.53;-1.6506,1.1643,5.1722;-2.8624,-.175,6.3682;-2.2736,-.7098,8.7705;-3.2537,-1.1709,8.9956;-1.9682,-.1729,9.6908;-1.2882,-1.8616,8.5021;-1.6605,-2.407,7.6112;-1.3175,-2.573,9.3515;.1478,-1.4006,8.2637;.5451,-.9495,9.1911;.1282,-.5939,7.5092;1.0996,-2.4983,7.7811;2.0923,-2.0519,7.5647;.7196,-2.8925,6.8145;1.2796,-3.6591,8.7588;1.6154,-3.2945,9.7452;.3334,-4.2055,8.9136;2.0278,-4.3843,8.3927;-3.4614,-1.256,6.173;-2.4201,.2741,7.6361;-1.738,1.1325,7.634;-6.3354,.7824,5.8839;-5.5781,1.5023,5.5411;-7.2843,.9745,5.3446;-5.9726,-.2304,5.6227;-6.5143,.9172,7.3963;-6.7784,1.9617,7.6419;-7.3635,.2829,7.7184;-5.2787,.5035,8.2001;-4.9387,-.4849,7.8403;-5.5622,.377,9.2641;-4.1316,1.5351,8.1501;-4.1892,2.5257,7.4043;-3.6095,1.6304,9.1385;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724410285933</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007037317027 0.001326578042 0.020248478064 0.008513482646</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043508939 -0.004110215 0.000358527 0.000381086 0.000396823 0.000687472 0.000806061 0.001499868 0.002345618 0.002890970 0.003097949 0.004467945 0.005780623 0.006184287 0.006645998 0.009160720 0.009560136 0.010060652 0.011633374 0.012550657 0.014059475 0.016139809 0.017765157 0.020616814 0.022059815 0.023879130 0.025611260 0.029206056 0.030095334 0.033371346 0.034449541 0.039011799 0.039950424 0.045408613 0.046272941 0.048586488 0.049797756 0.050267353 0.050935643 0.051489135 0.052876649 0.056632027 0.057778834 0.059254485 0.060197232 0.062530174 0.065948232 0.066323565 0.067922666 0.073033317 0.076521466 0.078067590 0.078763077 0.080265447 0.081630796 0.085589915 0.088185256 0.091812827 0.093646659 0.101165348 0.105553628 0.110763247 0.111539095 0.113094639 0.115087927 0.119233593 0.124099715 0.128126336 0.129225111 0.136966946 0.142383911 0.146758792 0.149335664 0.153626045 0.158521031 0.166492795 0.172693427 0.178174493 0.182347174 0.184654508 0.198851348 0.205616560 0.216518428 0.217434619 0.226990081 0.243231670 0.257326338 0.261987607 0.269427234 0.300411233 0.302450956 0.320005783 0.344305452 0.409687360 0.435940636 0.469693933 0.528741080 0.571848423 0.585479203 0.619140795 0.644033774 0.680579707 0.702098752 0.750343247 0.757056229 0.759922991 0.774822539 0.778444553 0.784871668 0.788874362 0.791621939 0.806922187 0.816739894 0.820920222 0.825715610 0.850843981 0.854086270 0.859965511 0.864806996 0.874939622 0.892680247 0.896614288 0.913192701 0.919066541 0.920303408 0.965337181 0.967861373 0.976794243 0.983879623 1.033760881 1.380649124 1.484860145</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">102</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.71200991" y3="-1.32124365" z3="1.95352028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.71596155" y3="-1.77339091" z3="2.04970931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.0296791" y3="-2.09905015" z3="1.56366074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.78070208" y3="-0.52119901" z3="1.19190112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.23688104" y3="-0.77227612" z3="3.29671472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.21175693" y3="-0.36579563" z3="3.18679375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.18260853" y3="-1.59028218" z3="4.03462099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15259115" y3="0.31191398" z3="3.86635622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17078998" y3="-0.10199361" z3="3.96633565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21417106" y3="1.15406745" z3="3.14805659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70190184" y3="0.83321896" z3="5.22602332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28234738" y3="1.72949246" z3="5.53097889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64741734" y3="1.16695293" z3="5.17594467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86022763" y3="-0.17090691" z3="6.37248039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27627837" y3="-0.69984371" z3="8.77630671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25613352" y3="-1.15717209" z3="9.00875408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.96177266" y3="-0.15986032" z3="9.69359859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29792435" y3="-1.85443235" z3="8.50953591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66439416" y3="-2.40050162" z3="7.6260815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32304946" y3="-2.56107486" z3="9.36390252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14003891" y3="-1.39904117" z3="8.25462335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.5638696" y3="-0.94448648" z3="9.1813032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1199309" y3="-0.5946498" z3="7.49776059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.08285841" y3="-2.50279945" z3="7.76318206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.07285998" y3="-2.05977197" z3="7.5448168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.70668688" y3="-2.89607508" z3="6.80373244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.26402657" y3="-3.66128891" z3="8.7436724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61268852" y3="-3.29638278" z3="9.7295746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.31757888" y3="-4.20456104" z3="8.90641839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.00756524" y3="-4.38971584" z3="8.37243548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45557456" y3="-1.25392951" z3="6.17763144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42348515" y3="0.28215429" z3="7.64066394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74234561" y3="1.14102061" z3="7.63819345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32500197" y3="0.76741925" z3="5.88581573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56741857" y3="1.48595343" z3="5.53351466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.269099" y3="0.96010317" z3="5.34438008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96430502" y3="-0.24274081" z3="5.63220036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51260897" y3="0.90733061" z3="7.3940084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.78351096" y3="1.9517802" z3="7.63306429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36312421" y3="0.27378836" z3="7.71277361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27896041" y3="0.50451076" z3="8.20547881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93480628" y3="-0.48580628" z3="7.85349471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56500268" y3="0.38212802" z3="9.26647905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13356777" y3="1.53738947" z3="8.15343491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.19312393" y3="2.52664841" z3="7.40594669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61153956" y3="1.63485609" z3="9.14201287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.712,-1.3212,1.9535;-3.716,-1.7734,2.0497;-2.0297,-2.0991,1.5637;-2.7807,-.5212,1.1919;-2.2369,-.7723,3.2967;-1.2118,-.3658,3.1868;-2.1826,-1.5903,4.0346;-3.1526,.3119,3.8664;-4.1708,-.102,3.9663;-3.2142,1.1541,3.1481;-2.7019,.8332,5.226;-3.2823,1.7295,5.531;-1.6474,1.167,5.1759;-2.8602,-.1709,6.3725;-2.2763,-.6998,8.7763;-3.2561,-1.1572,9.0088;-1.9618,-.1599,9.6936;-1.2979,-1.8544,8.5095;-1.6644,-2.4005,7.6261;-1.323,-2.5611,9.3639;.14,-1.399,8.2546;.5639,-.9445,9.1813;.1199,-.5946,7.4978;1.0829,-2.5028,7.7632;2.0729,-2.0598,7.5448;.7067,-2.8961,6.8037;1.264,-3.6613,8.7437;1.6127,-3.2964,9.7296;.3176,-4.2046,8.9064;2.0076,-4.3897,8.3724;-3.4556,-1.2539,6.1776;-2.4235,.2822,7.6407;-1.7423,1.141,7.6382;-6.325,.7674,5.8858;-5.5674,1.486,5.5335;-7.2691,.9601,5.3444;-5.9643,-.2427,5.6322;-6.5126,.9073,7.394;-6.7835,1.9518,7.6331;-7.3631,.2738,7.7128;-5.279,.5045,8.2055;-4.9348,-.4858,7.8535;-5.565,.3821,9.2665;-4.1336,1.5374,8.1534;-4.1931,2.5266,7.4059;-3.6115,1.6349,9.142;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724401479621</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007866020048 0.001346563711 0.030400500180 0.008511836792</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043565008 -0.004070174 0.000355348 0.000367139 0.000397793 0.000689571 0.000805145 0.001545753 0.002346885 0.002899629 0.003132343 0.004471221 0.005782538 0.006235193 0.006676059 0.009199077 0.009565879 0.010109181 0.011644320 0.012804830 0.014051350 0.016455364 0.017850104 0.020621200 0.022075783 0.024030404 0.025609644 0.029351963 0.030095121 0.033461389 0.034499883 0.039113054 0.040078204 0.045389997 0.046277334 0.048629102 0.049820640 0.050272132 0.051020441 0.051906565 0.052881460 0.056644426 0.057907743 0.059274167 0.060361578 0.063884329 0.066054550 0.066323881 0.067916565 0.073122052 0.076546006 0.078142245 0.078759630 0.080262701 0.081634942 0.085592759 0.088219267 0.091856309 0.093666989 0.101440241 0.105748497 0.110814336 0.111554947 0.113116203 0.116422622 0.119295136 0.124083031 0.128224112 0.129233753 0.136993652 0.142475597 0.146870004 0.150155368 0.153646631 0.158520442 0.166648856 0.172756150 0.178193631 0.182369203 0.184671193 0.199409127 0.205640709 0.216879739 0.217462185 0.227016601 0.243219877 0.257358636 0.262008536 0.269456452 0.301380959 0.303301138 0.320326369 0.344595160 0.409700639 0.435990008 0.470363342 0.528921795 0.571859658 0.585685469 0.622245473 0.645632585 0.681074920 0.702263888 0.750605616 0.757059112 0.760369016 0.774899326 0.779669265 0.785028327 0.789304446 0.795737213 0.806935078 0.816780288 0.820981952 0.825717062 0.851006403 0.854301726 0.860078338 0.864938000 0.874945940 0.892685015 0.896704184 0.913234492 0.919076187 0.920303817 0.965413757 0.968045063 0.976845746 0.984214608 1.034056718 1.380668621 1.484880413</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">103</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.70437361" y3="-1.32184304" z3="1.95882978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.70531733" y3="-1.77963001" z3="2.05779956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.01856837" y3="-2.09568304" z3="1.56725299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77976222" y3="-0.52246567" z3="1.19732494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.22912526" y3="-0.76949297" z3="3.30049056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.20582997" y3="-0.35932811" z3="3.18831695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.17050814" y3="-1.58638145" z3="4.03925137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14819741" y3="0.31202214" z3="3.86979804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16511001" y3="-0.10502706" z3="3.96948129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21203554" y3="1.15377268" z3="3.1512153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69993454" y3="0.83518598" z3="5.22953249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28125709" y3="1.73157435" z3="5.53212921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64553967" y3="1.16933207" z3="5.18069709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85887081" y3="-0.16765362" z3="6.37732182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2711656" y3="-0.68973567" z3="8.78383034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25398714" y3="-1.14089332" z3="9.02950766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.9474292" y3="-0.14679482" z3="9.69646281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29736737" y3="-1.85037434" z3="8.51112876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68431078" y3="-2.40094414" z3="7.63007847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32023879" y3="-2.55269601" z3="9.36870098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1370379" y3="-1.39874159" z3="8.24835997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54959379" y3="-0.94562691" z3="9.16664083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11142535" y3="-0.59523312" z3="7.49023199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07303717" y3="-2.50301618" z3="7.75470884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.06279234" y3="-2.06367652" z3="7.52893279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.680197" y3="-2.893449" z3="6.79391109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.25510551" y3="-3.66521762" z3="8.73055552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61098874" y3="-3.30348876" z3="9.7135433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.30373592" y3="-4.20041588" z3="8.89912945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.99064" y3="-4.40013256" z3="8.35172773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4516179" y3="-1.25197824" z3="6.18338145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42291393" y3="0.28808119" z3="7.64461192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7447245" y3="1.14937256" z3="7.64034182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31510064" y3="0.75189507" z3="5.8823965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56367053" y3="1.47580388" z3="5.53380606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26181688" y3="0.92970267" z3="5.33358496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.94559343" y3="-0.26205022" z3="5.63980242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50843222" y3="0.90238671" z3="7.38948473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7825913" y3="1.94726552" z3="7.61979017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36004762" y3="0.26892153" z3="7.71256403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2789044" y3="0.50516925" z3="8.21069497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93120634" y3="-0.48845577" z3="7.86965619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56985655" y3="0.39341636" z3="9.27610439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13761757" y3="1.54316255" z3="8.15528883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.20006991" y3="2.53100169" z3="7.40646452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61542999" y3="1.64281568" z3="9.14302336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7044,-1.3218,1.9588;-3.7053,-1.7796,2.0578;-2.0186,-2.0957,1.5673;-2.7798,-.5225,1.1973;-2.2291,-.7695,3.3005;-1.2058,-.3593,3.1883;-2.1705,-1.5864,4.0393;-3.1482,.312,3.8698;-4.1651,-.105,3.9695;-3.212,1.1538,3.1512;-2.6999,.8352,5.2295;-3.2813,1.7316,5.5321;-1.6455,1.1693,5.1807;-2.8589,-.1677,6.3773;-2.2712,-.6897,8.7838;-3.254,-1.1409,9.0295;-1.9474,-.1468,9.6965;-1.2974,-1.8504,8.5111;-1.6843,-2.4009,7.6301;-1.3202,-2.5527,9.3687;.137,-1.3987,8.2484;.5496,-.9456,9.1666;.1114,-.5952,7.4902;1.073,-2.503,7.7547;2.0628,-2.0637,7.5289;.6802,-2.8934,6.7939;1.2551,-3.6652,8.7306;1.611,-3.3035,9.7135;.3037,-4.2004,8.8991;1.9906,-4.4001,8.3517;-3.4516,-1.252,6.1834;-2.4229,.2881,7.6446;-1.7447,1.1494,7.6403;-6.3151,.7519,5.8824;-5.5637,1.4758,5.5338;-7.2618,.9297,5.3336;-5.9456,-.2621,5.6398;-6.5084,.9024,7.3895;-6.7826,1.9473,7.6198;-7.36,.2689,7.7126;-5.2789,.5052,8.2107;-4.9312,-.4885,7.8697;-5.5699,.3934,9.2761;-4.1376,1.5432,8.1553;-4.2001,2.531,7.4065;-3.6154,1.6428,9.143;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724399727715</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007798972480 0.001291117562 0.026191197061 0.008512908776</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043631215 -0.003948512 0.000335335 0.000376337 0.000412559 0.000691179 0.000808643 0.001543291 0.002345626 0.002898188 0.003152267 0.004471127 0.005782974 0.006233800 0.006685128 0.009289812 0.009567605 0.010125333 0.011676734 0.013189218 0.014206468 0.016915113 0.017904883 0.020626914 0.022074517 0.024229546 0.025608156 0.029543000 0.030100755 0.033608312 0.034557217 0.039240629 0.040336152 0.045440608 0.046276847 0.048818329 0.049841133 0.050279308 0.051093731 0.052177815 0.052888158 0.056675601 0.057944060 0.059273087 0.060476502 0.064369297 0.066189948 0.066323965 0.068040079 0.073117238 0.076554029 0.078139332 0.078760614 0.080258575 0.081635452 0.085587668 0.088230535 0.091945423 0.093670920 0.101609492 0.105873796 0.110879655 0.111555672 0.113125347 0.117322379 0.119413370 0.124423473 0.128207633 0.129240509 0.137003626 0.142519396 0.146857770 0.150699789 0.153660905 0.158516024 0.166845707 0.172753041 0.178451629 0.182374234 0.184674529 0.200129222 0.205649587 0.217277728 0.217804054 0.227016243 0.243213992 0.257414301 0.262024868 0.269451414 0.301524472 0.304686679 0.320901239 0.345063465 0.409848275 0.436146019 0.472416977 0.529430004 0.571925964 0.585882778 0.623278491 0.646441488 0.681447855 0.702508121 0.750612062 0.757066378 0.760463894 0.774899555 0.780368105 0.785121607 0.789385998 0.800695666 0.806990098 0.816795988 0.820993560 0.825717070 0.851135817 0.854490142 0.860096622 0.865560316 0.874967146 0.892716455 0.897115145 0.913275953 0.919081901 0.920304116 0.965445754 0.968478270 0.976917431 0.984562610 1.034396553 1.380672665 1.484886552</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">104</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.69646083" y3="-1.32344612" z3="1.96503424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.69567984" y3="-1.78503392" z3="2.06377966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.00763617" y3="-2.09470977" z3="1.57346227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77472492" y3="-0.52428638" z3="1.2036084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.22353587" y3="-0.76923495" z3="3.30669864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.20112402" y3="-0.35676345" z3="3.19496162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.16337214" y3="-1.58560073" z3="4.04591495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14550353" y3="0.31060302" z3="3.87464905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16170623" y3="-0.10843657" z3="3.97383251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21070071" y3="1.15150704" z3="3.15515125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69894487" y3="0.83658439" z3="5.23396747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28115589" y3="1.73296485" z3="5.53554827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6448734" y3="1.17190268" z3="5.18524181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85738414" y3="-0.1631808" z3="6.38410832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27378261" y3="-0.67806874" z3="8.79179183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25115751" y3="-1.12767409" z3="9.03640701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.94635895" y3="-0.13765539" z3="9.70155287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30594741" y3="-1.84059995" z3="8.51604353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69210208" y3="-2.38524136" z3="7.63802309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.32180883" y3="-2.54541751" z3="9.37064476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.12924561" y3="-1.39630666" z3="8.24234637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.56909042" y3="-0.94580043" z3="9.16283516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.10090506" y3="-0.59099565" z3="7.4868797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.05683399" y3="-2.50732417" z3="7.73694928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.04905131" y3="-2.07341409" z3="7.50274159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.66005889" y3="-2.89583622" z3="6.78159306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.24233633" y3="-3.66857442" z3="8.71356552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.60200113" y3="-3.30678945" z3="9.69380865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.29449622" y3="-4.20431724" z3="8.88783679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.97565569" y3="-4.4005164" z3="8.33627589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.44375126" y3="-1.25111234" z3="6.19259611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42931573" y3="0.30033745" z3="7.65306159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74827449" y3="1.15939393" z3="7.64501412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30637755" y3="0.7331216" z3="5.88030372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55394875" y3="1.45687212" z3="5.53091238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24851502" y3="0.90664456" z3="5.32778158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92922197" y3="-0.27598738" z3="5.64331831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50706949" y3="0.89531077" z3="7.38744788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.78337814" y3="1.9436257" z3="7.60742521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35366981" y3="0.25906861" z3="7.70722384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2794223" y3="0.50990447" z3="8.2159476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92817091" y3="-0.48211664" z3="7.88107114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57537992" y3="0.40016557" z3="9.27641271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13475777" y3="1.54403264" z3="8.1583914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.20155761" y3="2.53178371" z3="7.40745505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6168728" y3="1.6510739" z3="9.14827204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6965,-1.3234,1.965;-3.6957,-1.785,2.0638;-2.0076,-2.0947,1.5735;-2.7747,-.5243,1.2036;-2.2235,-.7692,3.3067;-1.2011,-.3568,3.195;-2.1634,-1.5856,4.0459;-3.1455,.3106,3.8746;-4.1617,-.1084,3.9738;-3.2107,1.1515,3.1552;-2.6989,.8366,5.234;-3.2812,1.733,5.5355;-1.6449,1.1719,5.1852;-2.8574,-.1632,6.3841;-2.2738,-.6781,8.7918;-3.2512,-1.1277,9.0364;-1.9464,-.1377,9.7016;-1.3059,-1.8406,8.516;-1.6921,-2.3852,7.638;-1.3218,-2.5454,9.3706;.1292,-1.3963,8.2423;.5691,-.9458,9.1628;.1009,-.591,7.4869;1.0568,-2.5073,7.7369;2.0491,-2.0734,7.5027;.6601,-2.8958,6.7816;1.2423,-3.6686,8.7136;1.602,-3.3068,9.6938;.2945,-4.2043,8.8878;1.9757,-4.4005,8.3363;-3.4438,-1.2511,6.1926;-2.4293,.3003,7.6531;-1.7483,1.1594,7.645;-6.3064,.7331,5.8803;-5.5539,1.4569,5.5309;-7.2485,.9066,5.3278;-5.9292,-.276,5.6433;-6.5071,.8953,7.3874;-6.7834,1.9436,7.6074;-7.3537,.2591,7.7072;-5.2794,.5099,8.2159;-4.9282,-.4821,7.8811;-5.5754,.4002,9.2764;-4.1348,1.544,8.1584;-4.2016,2.5318,7.4075;-3.6169,1.6511,9.1483;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724390667858</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005733829014 0.001244615816 0.027210510560 0.008512738518</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043839980 -0.003794922 0.000323838 0.000383195 0.000452595 0.000689948 0.000833540 0.001584045 0.002373896 0.002909806 0.003219404 0.004582608 0.005801048 0.006255909 0.006686109 0.009395951 0.009625339 0.010125742 0.011709426 0.013276045 0.014728683 0.017263933 0.017896440 0.020625105 0.022091885 0.024361173 0.025609608 0.029598426 0.030113423 0.033716849 0.034709002 0.039337238 0.040647881 0.045528538 0.046278366 0.049125654 0.049849540 0.050301307 0.051215798 0.052280041 0.052892815 0.056917008 0.057971789 0.059323019 0.060706258 0.064417814 0.066257667 0.066341512 0.068253629 0.073123503 0.076553507 0.078145798 0.078760272 0.080275852 0.081635745 0.085678435 0.088373939 0.092031807 0.093670626 0.101806947 0.105881185 0.110877629 0.111556029 0.113124709 0.117496528 0.119452326 0.125003422 0.128284555 0.129413592 0.137160698 0.142515947 0.146887061 0.151002518 0.153661081 0.158529714 0.166978237 0.172800899 0.178769955 0.182378110 0.184674196 0.200760265 0.205734437 0.217335451 0.218656083 0.227056673 0.243209156 0.257435706 0.262029139 0.269514659 0.301528365 0.305509075 0.321426632 0.345617514 0.410182630 0.436264095 0.475356446 0.530201149 0.572033737 0.586040943 0.623441611 0.646605906 0.681737877 0.702601237 0.751185067 0.757076780 0.760530074 0.774901805 0.780598512 0.785159614 0.789403152 0.804345842 0.807617267 0.816836749 0.820993831 0.825727080 0.851202790 0.854529049 0.860443690 0.866828565 0.875014005 0.892744285 0.897921711 0.913282686 0.919130526 0.920306833 0.965518331 0.968504825 0.977040023 0.985114693 1.034448503 1.380693209 1.484925903</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">105</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.68690814" y3="-1.32247732" z3="1.9710963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.68660606" y3="-1.78389343" z3="2.06598251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.9967765" y3="-2.09362578" z3="1.58134292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.76232144" y3="-0.52269533" z3="1.21005027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.21867487" y3="-0.76916804" z3="3.31471129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.19585034" y3="-0.35667275" z3="3.20685255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.16114739" y3="-1.58584883" z3="4.05381739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14272658" y3="0.31047452" z3="3.87973069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15851073" y3="-0.10975469" z3="3.97808984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20823217" y3="1.15027167" z3="3.15893755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69870127" y3="0.83937984" z3="5.23859451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28344028" y3="1.73470757" z3="5.53841507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64544968" y3="1.17730521" z3="5.19047783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85543058" y3="-0.15920532" z3="6.38962261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26869744" y3="-0.66761011" z3="8.799435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25205928" y3="-1.11166651" z3="9.06271002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.92954374" y3="-0.12020933" z3="9.70485332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30684145" y3="-1.83570338" z3="8.52207693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.70789209" y3="-2.38856248" z3="7.65068687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3225613" y3="-2.53169257" z3="9.38579816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.13012635" y3="-1.39631728" z3="8.23231198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.56606393" y3="-0.94378988" z3="9.14335656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.10018183" y3="-0.59471784" z3="7.47268102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.04818358" y3="-2.51081395" z3="7.72496337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.03902052" y3="-2.08048679" z3="7.482595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.63943998" y3="-2.90032785" z3="6.77220672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.23528112" y3="-3.67223088" z3="8.70045378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61101523" y3="-3.31253556" z3="9.67911508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.2834883" y3="-4.20156895" z3="8.8829948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.96025059" y3="-4.41380869" z3="8.30906538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43884782" y3="-1.24866645" z3="6.19929808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42907226" y3="0.30650126" z3="7.65745331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75137125" y3="1.16836719" z3="7.64898278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29728611" y3="0.72308161" z3="5.87896228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54720934" y3="1.4473901" z3="5.52399571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2389061" y3="0.88959592" z3="5.32014143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.91911511" y3="-0.28849918" z3="5.65071284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50567484" y3="0.88763281" z3="7.38008382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7877499" y3="1.932806" z3="7.59663217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35827" y3="0.25375839" z3="7.70243006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28158072" y3="0.5088038" z3="8.21621659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92788984" y3="-0.487895" z3="7.8908945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58031965" y3="0.40724094" z3="9.27893147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14096901" y3="1.54956879" z3="8.15729676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.20828045" y3="2.53536633" z3="7.40457429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6261065" y3="1.65864848" z3="9.14825684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6869,-1.3225,1.9711;-3.6866,-1.7839,2.066;-1.9968,-2.0936,1.5813;-2.7623,-.5227,1.2101;-2.2187,-.7692,3.3147;-1.1959,-.3567,3.2069;-2.1611,-1.5858,4.0538;-3.1427,.3105,3.8797;-4.1585,-.1098,3.9781;-3.2082,1.1503,3.1589;-2.6987,.8394,5.2386;-3.2834,1.7347,5.5384;-1.6454,1.1773,5.1905;-2.8554,-.1592,6.3896;-2.2687,-.6676,8.7994;-3.2521,-1.1117,9.0627;-1.9295,-.1202,9.7049;-1.3068,-1.8357,8.5221;-1.7079,-2.3886,7.6507;-1.3226,-2.5317,9.3858;.1301,-1.3963,8.2323;.5661,-.9438,9.1434;.1002,-.5947,7.4727;1.0482,-2.5108,7.725;2.039,-2.0805,7.4826;.6394,-2.9003,6.7722;1.2353,-3.6722,8.7005;1.611,-3.3125,9.6791;.2835,-4.2016,8.883;1.9603,-4.4138,8.3091;-3.4388,-1.2487,6.1993;-2.4291,.3065,7.6575;-1.7514,1.1684,7.649;-6.2973,.7231,5.879;-5.5472,1.4474,5.524;-7.2389,.8896,5.3201;-5.9191,-.2885,5.6507;-6.5057,.8876,7.3801;-6.7877,1.9328,7.5966;-7.3583,.2538,7.7024;-5.2816,.5088,8.2162;-4.9279,-.4879,7.8909;-5.5803,.4072,9.2789;-4.141,1.5496,8.1573;-4.2083,2.5354,7.4046;-3.6261,1.6586,9.1483;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724392870983</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005040061525 0.001108172890 0.026812566131 0.008512441695</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043942146 -0.002839387 0.000315889 0.000395685 0.000453858 0.000688092 0.000872822 0.001671153 0.002374559 0.002909716 0.003242083 0.004725827 0.005816179 0.006240629 0.006690529 0.009394183 0.009680707 0.010136728 0.011758502 0.013300338 0.015236832 0.017370816 0.018053813 0.020627713 0.022106994 0.024478112 0.025629546 0.029589161 0.030126383 0.033717600 0.034851711 0.039407765 0.041084750 0.045582822 0.046277677 0.049257398 0.049863100 0.050309699 0.051262958 0.052271980 0.052892325 0.057115230 0.057996746 0.059342519 0.061251618 0.064431688 0.066279912 0.066340006 0.068270332 0.073126262 0.076553202 0.078212672 0.078761755 0.080349100 0.081635654 0.085762182 0.088579257 0.092070685 0.093676808 0.102281624 0.105905038 0.110875456 0.111557849 0.113125148 0.117489468 0.119450098 0.125314521 0.128420413 0.129688726 0.137428620 0.142547908 0.147167849 0.151126482 0.153662816 0.158581962 0.167091390 0.172848147 0.179033789 0.182370206 0.184674001 0.201148817 0.205870115 0.217338932 0.219672533 0.227427819 0.243259730 0.257545518 0.262028421 0.269694967 0.301574578 0.305560430 0.321659109 0.345916789 0.410433729 0.436297624 0.477712513 0.530846742 0.572109061 0.586036915 0.623440465 0.646632714 0.681977404 0.702633102 0.752284957 0.757080547 0.760938412 0.774902319 0.780627691 0.785162132 0.789403011 0.805408423 0.809714335 0.817302784 0.821016939 0.825728448 0.851201672 0.854530819 0.861265758 0.868216059 0.875141493 0.892788762 0.898561801 0.913381549 0.919131330 0.920309930 0.965545397 0.968503354 0.977139756 0.985171348 1.034468832 1.380705685 1.484926359</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">106</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.67565374" y3="-1.32462586" z3="1.97901531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.67867974" y3="-1.78039493" z3="2.0668332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.98691936" y3="-2.10007721" z3="1.59508213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.7408644" y3="-0.5250643" z3="1.21666379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.21436997" y3="-0.77248601" z3="3.32565896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.18957972" y3="-0.36305898" z3="3.2243537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.16414538" y3="-1.58899956" z3="4.06558169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13893257" y3="0.30999301" z3="3.88469961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1555808" y3="-0.10876589" z3="3.98056017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20131372" y3="1.14796053" z3="3.16146251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69834166" y3="0.84226212" z3="5.24337565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28524982" y3="1.73678165" z3="5.54218099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64576368" y3="1.18245374" z3="5.19630881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85479798" y3="-0.15372324" z3="6.39608632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26686991" y3="-0.65607323" z3="8.80669688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.24382783" y3="-1.09868589" z3="9.06871516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.92346451" y3="-0.11164675" z3="9.70894781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30947227" y3="-1.82728102" z3="8.5241681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.71222889" y3="-2.37783705" z3="7.65727801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3193751" y3="-2.52330595" z3="9.38649814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1232177" y3="-1.39474775" z3="8.22603527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.57557782" y3="-0.94418901" z3="9.13524563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0898621" y3="-0.59297811" z3="7.46645865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.03409617" y3="-2.51274867" z3="7.70904501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.02386887" y3="-2.08593728" z3="7.46288909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.61904458" y3="-2.89669974" z3="6.75847401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.22483112" y3="-3.67765763" z3="8.68064219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5992754" y3="-3.319603" z3="9.65536943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.27410482" y3="-4.20586601" z3="8.8676828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.94739728" y3="-4.41441223" z3="8.29345945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43303206" y3="-1.24579089" z3="6.20758567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43413882" y3="0.31856174" z3="7.6653409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75585061" y3="1.17988031" z3="7.65273819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29276381" y3="0.70676815" z3="5.87500348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54708984" y3="1.43563644" z3="5.52420654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.23369014" y3="0.86278336" z3="5.31294283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90498204" y3="-0.30365039" z3="5.65289136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50445176" y3="0.88384089" z3="7.37914444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.78955084" y3="1.93311299" z3="7.58637741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35123611" y3="0.24691269" z3="7.69971434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28145974" y3="0.51098274" z3="8.22161275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9274652" y3="-0.48622771" z3="7.90279106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58437545" y3="0.41479775" z3="9.28391338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13912529" y3="1.54930384" z3="8.1570817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.21052254" y3="2.53330987" z3="7.40038978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63007942" y3="1.66764873" z3="9.15068595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6757,-1.3246,1.979;-3.6787,-1.7804,2.0668;-1.9869,-2.1001,1.5951;-2.7409,-.5251,1.2167;-2.2144,-.7725,3.3257;-1.1896,-.3631,3.2244;-2.1641,-1.589,4.0656;-3.1389,.31,3.8847;-4.1556,-.1088,3.9806;-3.2013,1.148,3.1615;-2.6983,.8423,5.2434;-3.2852,1.7368,5.5422;-1.6458,1.1825,5.1963;-2.8548,-.1537,6.3961;-2.2669,-.6561,8.8067;-3.2438,-1.0987,9.0687;-1.9235,-.1116,9.7089;-1.3095,-1.8273,8.5242;-1.7122,-2.3778,7.6573;-1.3194,-2.5233,9.3865;.1232,-1.3947,8.226;.5756,-.9442,9.1352;.0899,-.593,7.4665;1.0341,-2.5127,7.709;2.0239,-2.0859,7.4629;.619,-2.8967,6.7585;1.2248,-3.6777,8.6806;1.5993,-3.3196,9.6554;.2741,-4.2059,8.8677;1.9474,-4.4144,8.2935;-3.433,-1.2458,6.2076;-2.4341,.3186,7.6653;-1.7559,1.1799,7.6527;-6.2928,.7068,5.875;-5.5471,1.4356,5.5242;-7.2337,.8628,5.3129;-5.905,-.3037,5.6529;-6.5045,.8838,7.3791;-6.7896,1.9331,7.5864;-7.3512,.2469,7.6997;-5.2815,.511,8.2216;-4.9275,-.4862,7.9028;-5.5844,.4148,9.2839;-4.1391,1.5493,8.1571;-4.2105,2.5333,7.4004;-3.6301,1.6676,9.1507;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724401613917</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003786704491 0.000901021304 0.031315299045 0.008510713471</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044106502 -0.002311202 0.000309021 0.000393498 0.000468265 0.000690911 0.000873781 0.001741246 0.002378308 0.002912946 0.003255158 0.004936123 0.005837688 0.006250371 0.006694182 0.009397942 0.009672110 0.010221218 0.011848547 0.013307595 0.015567674 0.017361477 0.018396037 0.020633589 0.022130365 0.024621339 0.025654818 0.029639039 0.030134810 0.033742044 0.034986375 0.039442083 0.041493539 0.045589710 0.046298627 0.049244712 0.049859682 0.050308768 0.051267567 0.052284078 0.052891980 0.057174122 0.058017589 0.059340630 0.061706732 0.064454597 0.066276485 0.066338100 0.068265709 0.073142734 0.076552879 0.078234822 0.078762517 0.080405984 0.081636376 0.085809912 0.088620656 0.092068798 0.093678775 0.103014546 0.106116331 0.110949416 0.111563099 0.113126953 0.117704791 0.119508248 0.125362662 0.128407107 0.129750681 0.137563910 0.142543861 0.147392872 0.151123874 0.153669790 0.158651783 0.167118393 0.172878915 0.179205164 0.182366543 0.184676039 0.201311785 0.205927234 0.217342609 0.220256734 0.227925230 0.243304809 0.257589700 0.262034906 0.269743497 0.301706132 0.305555243 0.321686454 0.345941913 0.410693567 0.436298165 0.478818937 0.531215254 0.572163807 0.586038748 0.623440322 0.646635354 0.682019713 0.702697987 0.752958002 0.757113918 0.761105393 0.774899193 0.781305891 0.785230433 0.789405391 0.805469311 0.811401278 0.818156832 0.821020468 0.825750040 0.851209638 0.854641623 0.861880915 0.869040098 0.875586031 0.892797205 0.898925914 0.913521137 0.919227665 0.920328135 0.965554071 0.968504823 0.977158533 0.985185980 1.034524597 1.380709343 1.484926602</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">107</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.66196413" y3="-1.3261403" z3="1.98520986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.67018801" y3="-1.77277227" z3="2.06377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.97642878" y3="-2.10844015" z3="1.609104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.71247295" y3="-0.52684009" z3="1.22111754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.20876942" y3="-0.77657586" z3="3.33563333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.18086272" y3="-0.37253473" z3="3.24281151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.16900876" y3="-1.59326384" z3="4.07606707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13260226" y3="0.31057555" z3="3.88704582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15137869" y3="-0.1042634" z3="3.97787114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18799521" y3="1.1472577" z3="3.16164715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69784737" y3="0.84489554" z3="5.24664149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28800668" y3="1.73838285" z3="5.54263715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64602415" y3="1.18777478" z3="5.20250904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85526323" y3="-0.15006976" z3="6.39995637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26446532" y3="-0.64629567" z3="8.81338084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.24414894" y3="-1.0863864" z3="9.08901859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.9152409" y3="-0.09618739" z3="9.71096157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31044524" y3="-1.81922001" z3="8.53263267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.72755757" y3="-2.37665566" z3="7.67054972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31555357" y3="-2.50997195" z3="9.40020371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.12421145" y3="-1.39210061" z3="8.21945639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.58666439" y3="-0.94445665" z3="9.12515749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.08657526" y3="-0.5895527" z3="7.46113787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.02434189" y3="-2.51585456" z3="7.6950552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.01781557" y3="-2.09552367" z3="7.43422313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.59716162" y3="-2.90165347" z3="6.74892832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.21785849" y3="-3.67954481" z3="8.66677859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61262485" y3="-3.32535186" z3="9.64132419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.2659865" y3="-4.20298476" z3="8.86175625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.93187543" y3="-4.42571082" z3="8.26214415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4331817" y3="-1.24216168" z3="6.2122311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43567712" y3="0.32411797" z3="7.66864451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75781201" y3="1.18587263" z3="7.65421222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29500332" y3="0.69878764" z3="5.8764186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5497008" y3="1.42653875" z3="5.51803463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.23458007" y3="0.85281807" z3="5.31319339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90751738" y3="-0.30923733" z3="5.65655428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50789352" y3="0.87620046" z3="7.37718364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.794602" y3="1.92240798" z3="7.58442378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35452161" y3="0.23756799" z3="7.70044182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28376471" y3="0.51133186" z3="8.22021095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92539422" y3="-0.48428537" z3="7.90358412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58631591" y3="0.41675389" z3="9.28080486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14323643" y3="1.55290496" z3="8.15706375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.21710863" y3="2.53606685" z3="7.39879059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63655094" y3="1.67423651" z3="9.15136585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.662,-1.3261,1.9852;-3.6702,-1.7728,2.0638;-1.9764,-2.1084,1.6091;-2.7125,-.5268,1.2211;-2.2088,-.7766,3.3356;-1.1809,-.3725,3.2428;-2.169,-1.5933,4.0761;-3.1326,.3106,3.887;-4.1514,-.1043,3.9779;-3.188,1.1473,3.1616;-2.6978,.8449,5.2466;-3.288,1.7384,5.5426;-1.646,1.1878,5.2025;-2.8553,-.1501,6.4;-2.2645,-.6463,8.8134;-3.2441,-1.0864,9.089;-1.9152,-.0962,9.711;-1.3104,-1.8192,8.5326;-1.7276,-2.3767,7.6705;-1.3156,-2.51,9.4002;.1242,-1.3921,8.2195;.5867,-.9445,9.1252;.0866,-.5896,7.4611;1.0243,-2.5159,7.6951;2.0178,-2.0955,7.4342;.5972,-2.9017,6.7489;1.2179,-3.6795,8.6668;1.6126,-3.3254,9.6413;.266,-4.203,8.8618;1.9319,-4.4257,8.2621;-3.4332,-1.2422,6.2122;-2.4357,.3241,7.6686;-1.7578,1.1859,7.6542;-6.295,.6988,5.8764;-5.5497,1.4265,5.518;-7.2346,.8528,5.3132;-5.9075,-.3092,5.6566;-6.5079,.8762,7.3772;-6.7946,1.9224,7.5844;-7.3545,.2376,7.7004;-5.2838,.5113,8.2202;-4.9254,-.4843,7.9036;-5.5863,.4168,9.2808;-4.1432,1.5529,8.1571;-4.2171,2.5361,7.3988;-3.6366,1.6742,9.1514;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724383480944</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004513459858 0.001067362289 0.034032208790 0.008511646415</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044078220 -0.002884911 0.000299613 0.000396566 0.000435682 0.000690831 0.000882563 0.001760776 0.002397999 0.002913281 0.003260298 0.005049854 0.005857635 0.006267559 0.006703205 0.009407531 0.009692669 0.010400663 0.012202765 0.013325308 0.015753772 0.017423002 0.018619152 0.020631693 0.022180191 0.024713431 0.025673127 0.029722240 0.030138213 0.033873254 0.035179430 0.039453897 0.041764137 0.045608005 0.046401263 0.049289633 0.049876149 0.050313413 0.051288207 0.052377778 0.052891968 0.057167851 0.058029710 0.059340930 0.061910742 0.064653973 0.066282976 0.066370465 0.068472421 0.073255870 0.076551830 0.078227534 0.078789834 0.080411545 0.081638018 0.085807956 0.088619500 0.092072770 0.093678156 0.103936400 0.106259531 0.111013033 0.111565594 0.113126103 0.118104978 0.119683918 0.125358968 0.128529943 0.129751403 0.137580528 0.142588140 0.147615690 0.151194612 0.153675624 0.158714424 0.167117147 0.172895519 0.179184503 0.182362716 0.184675870 0.201298727 0.205923642 0.217347412 0.220738280 0.228740631 0.243410834 0.257621287 0.262032735 0.269821686 0.301863820 0.305914618 0.321766745 0.345972041 0.411076362 0.436351443 0.479178607 0.531324143 0.572163153 0.586061202 0.623454739 0.646645940 0.682031913 0.702769073 0.753424372 0.757222489 0.761124435 0.774908614 0.782958451 0.785817519 0.789415656 0.805479020 0.812168534 0.819544115 0.821072241 0.825749670 0.851243321 0.854747465 0.862438668 0.869057636 0.876131026 0.892800790 0.899040381 0.913523669 0.919628231 0.920429502 0.965663536 0.968504929 0.977163115 0.985385694 1.034560278 1.380815709 1.484927501</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">108</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.64661654" y3="-1.3284774" z3="1.99203544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.66089893" y3="-1.76333096" z3="2.0585893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.96551926" y3="-2.11908213" z3="1.6255558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67844074" y3="-0.52965171" z3="1.22632325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.20378463" y3="-0.78253214" z3="3.34736922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.172151" y3="-0.38568369" z3="3.26547299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.17729148" y3="-1.59932296" z3="4.08820468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12576137" y3="0.31080429" z3="3.88945682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14755429" y3="-0.0980656" z3="3.97463327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17177038" y3="1.14579778" z3="3.1613307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69690512" y3="0.84759428" z3="5.2499452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29061218" y3="1.73975854" z3="5.54288038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64592405" y3="1.19339918" z3="5.20877117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85488506" y3="-0.14544699" z3="6.40468412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26111852" y3="-0.63638331" z3="8.81853998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23911329" y3="-1.07223127" z3="9.09903797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.90255179" y3="-0.08352291" z3="9.71266316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31219735" y3="-1.81573523" z3="8.53498408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.72643681" y3="-2.37494796" z3="7.68102006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3130947" y3="-2.50036569" z3="9.40737032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.120812" y3="-1.39319459" z3="8.20911738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.58727003" y3="-0.94327632" z3="9.10760189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.08136096" y3="-0.59352421" z3="7.44770774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.01470866" y3="-2.51769791" z3="7.67950808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.00191806" y3="-2.09728432" z3="7.4212366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.58413567" y3="-2.89766719" z3="6.73492227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.20950743" y3="-3.68459664" z3="8.64742715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59543885" y3="-3.32894117" z3="9.61600896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.25792413" y3="-4.20763993" z3="8.84650955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.922397" y3="-4.42403223" z3="8.25284204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43356763" y3="-1.237816" z3="6.21922477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43528462" y3="0.33133957" z3="7.67224385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75976406" y3="1.19475839" z3="7.65589481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29752202" y3="0.69085511" z3="5.87824256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55554303" y3="1.42045456" z3="5.52008876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.23948202" y3="0.83689543" z3="5.31439203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90319263" y3="-0.31917289" z3="5.66145543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50925975" y3="0.87094844" z3="7.37901154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80084829" y3="1.91886768" z3="7.58374852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35506546" y3="0.23196507" z3="7.70492224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28370623" y3="0.50980035" z3="8.22265782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92521146" y3="-0.49018137" z3="7.91075112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58478428" y3="0.42085379" z3="9.28637411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14771237" y3="1.55664035" z3="8.15446968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.22311666" y3="2.53676919" z3="7.39350374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64275357" y3="1.68275893" z3="9.1491577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6466,-1.3285,1.992;-3.6609,-1.7633,2.0586;-1.9655,-2.1191,1.6256;-2.6784,-.5297,1.2263;-2.2038,-.7825,3.3474;-1.1722,-.3857,3.2655;-2.1773,-1.5993,4.0882;-3.1258,.3108,3.8895;-4.1476,-.0981,3.9746;-3.1718,1.1458,3.1613;-2.6969,.8476,5.2499;-3.2906,1.7398,5.5429;-1.6459,1.1934,5.2088;-2.8549,-.1454,6.4047;-2.2611,-.6364,8.8185;-3.2391,-1.0722,9.099;-1.9026,-.0835,9.7127;-1.3122,-1.8157,8.535;-1.7264,-2.3749,7.681;-1.3131,-2.5004,9.4074;.1208,-1.3932,8.2091;.5873,-.9433,9.1076;.0814,-.5935,7.4477;1.0147,-2.5177,7.6795;2.0019,-2.0973,7.4212;.5841,-2.8977,6.7349;1.2095,-3.6846,8.6474;1.5954,-3.3289,9.616;.2579,-4.2076,8.8465;1.9224,-4.424,8.2528;-3.4336,-1.2378,6.2192;-2.4353,.3313,7.6722;-1.7598,1.1948,7.6559;-6.2975,.6909,5.8782;-5.5555,1.4205,5.5201;-7.2395,.8369,5.3144;-5.9032,-.3192,5.6615;-6.5093,.8709,7.379;-6.8008,1.9189,7.5837;-7.3551,.232,7.7049;-5.2837,.5098,8.2227;-4.9252,-.4902,7.9108;-5.5848,.4209,9.2864;-4.1477,1.5566,8.1545;-4.2231,2.5368,7.3935;-3.6428,1.6828,9.1492;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724346895332</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006050528776 0.001331015153 0.034341811248 0.008512121069</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044068945 -0.004360774 0.000292522 0.000386652 0.000456377 0.000689836 0.000883551 0.001763976 0.002418302 0.002913841 0.003289449 0.005043944 0.005856891 0.006284487 0.006705293 0.009416932 0.009691680 0.010513384 0.012959733 0.013570432 0.016106684 0.017483269 0.018716580 0.020646034 0.022169096 0.024768970 0.025671826 0.029712137 0.030138097 0.034110971 0.035348143 0.039454928 0.041860411 0.045620249 0.046613306 0.049459866 0.049889642 0.050332412 0.051421598 0.052508392 0.052893540 0.057166529 0.058044511 0.059348597 0.061910993 0.064996251 0.066290055 0.066421928 0.069008102 0.073502920 0.076551660 0.078239154 0.078921696 0.080438649 0.081641942 0.085811522 0.088671872 0.092076702 0.093680584 0.104977555 0.106410592 0.111142672 0.111584216 0.113126351 0.118462519 0.120008091 0.125364624 0.128990024 0.130069905 0.137589287 0.143007517 0.147634442 0.151533396 0.153675975 0.158749402 0.167221337 0.173072883 0.179250271 0.182464612 0.184694934 0.201347949 0.205960287 0.217348006 0.221300754 0.229158117 0.243583017 0.257625715 0.262047806 0.269824331 0.301884193 0.306216405 0.322126952 0.346574467 0.411900059 0.436367569 0.479475070 0.531355623 0.572175560 0.586064912 0.623523867 0.646674175 0.682045022 0.702905416 0.753430719 0.757424705 0.761960244 0.774930012 0.784146349 0.787975678 0.789430394 0.805501859 0.812791614 0.820657366 0.822283295 0.825756286 0.851374807 0.855261073 0.862658633 0.869150401 0.876871534 0.892810085 0.899173749 0.913606439 0.919957900 0.920740109 0.965867316 0.968649870 0.977162955 0.985895354 1.034592534 1.380894377 1.484936804</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">109</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.63132147" y3="-1.33115868" z3="1.99787321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.65122388" y3="-1.75466832" z3="2.05125601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.95445033" y3="-2.12951689" z3="1.64099825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.64409893" y3="-0.53266985" z3="1.23121618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.19997673" y3="-0.78931176" z3="3.35853063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.16468614" y3="-0.3997594" z3="3.28845424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.18764668" y3="-1.60625956" z3="4.09951623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11995828" y3="0.31014337" z3="3.89115305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14430485" y3="-0.0933937" z3="3.97169472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.15752008" y3="1.14286399" z3="3.15993393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69622682" y3="0.85019015" z3="5.25197522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29343276" y3="1.74104333" z3="5.54151326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64625625" y3="1.19917852" z3="5.21241925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85372714" y3="-0.14125553" z3="6.40822414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25755361" y3="-0.62908482" z3="8.82176194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23416282" y3="-1.06328364" z3="9.10293704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.90152822" y3="-0.07860226" z3="9.71310853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31018276" y3="-1.80724652" z3="8.53947786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.73880639" y3="-2.37009691" z3="7.68728287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30642201" y3="-2.49119111" z3="9.41115901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11766959" y3="-1.38747034" z3="8.20512732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.59866194" y3="-0.93854867" z3="9.10136002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.07281769" y3="-0.58863101" z3="7.44321485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.00290683" y3="-2.51646475" z3="7.66959595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.99644985" y3="-2.10358411" z3="7.39774748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.56090195" y3="-2.89614618" z3="6.72778652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.19882999" y3="-3.6848153" z3="8.63527483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61046911" y3="-3.33694251" z3="9.6073004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.2453267" y3="-4.2008857" z3="8.83815723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.90233007" y3="-4.43791716" z3="8.21855248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43237038" y3="-1.23415767" z3="6.2243956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43301821" y3="0.33708833" z3="7.67466947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75984838" y3="1.20234468" z3="7.65719064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30025145" y3="0.6808232" z3="5.87860897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56215622" y3="1.41422289" z3="5.51971032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24244261" y3="0.82259709" z3="5.31586387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90265881" y3="-0.32384909" z3="5.66176285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5124904" y3="0.86645982" z3="7.3824566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.807229" y3="1.91200144" z3="7.58666866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35374879" y3="0.22399834" z3="7.70713937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28450945" y3="0.51065261" z3="8.22628115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92251562" y3="-0.48391378" z3="7.91416222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58711655" y3="0.42237801" z3="9.28869031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15107006" y3="1.55897886" z3="8.1557444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.23072204" y3="2.53636145" z3="7.39103423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64469841" y3="1.68995533" z3="9.14890696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6313,-1.3312,1.9979;-3.6512,-1.7547,2.0513;-1.9545,-2.1295,1.641;-2.6441,-.5327,1.2312;-2.2,-.7893,3.3585;-1.1647,-.3998,3.2885;-2.1876,-1.6063,4.0995;-3.12,.3101,3.8912;-4.1443,-.0934,3.9717;-3.1575,1.1429,3.1599;-2.6962,.8502,5.252;-3.2934,1.741,5.5415;-1.6463,1.1992,5.2124;-2.8537,-.1413,6.4082;-2.2576,-.6291,8.8218;-3.2342,-1.0633,9.1029;-1.9015,-.0786,9.7131;-1.3102,-1.8072,8.5395;-1.7388,-2.3701,7.6873;-1.3064,-2.4912,9.4112;.1177,-1.3875,8.2051;.5987,-.9385,9.1014;.0728,-.5886,7.4432;1.0029,-2.5165,7.6696;1.9964,-2.1036,7.3977;.5609,-2.8961,6.7278;1.1988,-3.6848,8.6353;1.6105,-3.3369,9.6073;.2453,-4.2009,8.8382;1.9023,-4.4379,8.2186;-3.4324,-1.2342,6.2244;-2.433,.3371,7.6747;-1.7598,1.2023,7.6572;-6.3003,.6808,5.8786;-5.5622,1.4142,5.5197;-7.2424,.8226,5.3159;-5.9027,-.3238,5.6618;-6.5125,.8665,7.3825;-6.8072,1.912,7.5867;-7.3537,.224,7.7071;-5.2845,.5107,8.2263;-4.9225,-.4839,7.9142;-5.5871,.4224,9.2887;-4.1511,1.559,8.1557;-4.2307,2.5364,7.391;-3.6447,1.69,9.1489;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724313420812</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005970215679 0.001536434378 0.034428840458 0.008512201565</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044040824 -0.004883874 0.000294849 0.000377869 0.000502337 0.000691781 0.000909183 0.001863152 0.002429727 0.002915474 0.003287956 0.005120850 0.005866804 0.006284972 0.006712737 0.009426768 0.009765615 0.010531977 0.013169126 0.014286013 0.016858305 0.017473050 0.018705655 0.020696565 0.022193291 0.024757347 0.025774410 0.029798772 0.030163619 0.034227067 0.035591621 0.039455044 0.041849166 0.045618120 0.046655498 0.049530486 0.049925093 0.050342062 0.051468618 0.052547939 0.052897361 0.057169265 0.058037533 0.059345501 0.061940180 0.065145953 0.066291080 0.066420286 0.069165399 0.073657842 0.076549628 0.078269155 0.079080529 0.080522266 0.081648593 0.085813636 0.088783543 0.092081922 0.093702333 0.105659056 0.106457603 0.111251032 0.112012929 0.113131179 0.118648002 0.120255595 0.125363410 0.129298077 0.131064349 0.137707799 0.143863367 0.147697532 0.151904487 0.153676554 0.158760517 0.167475338 0.173349610 0.179398775 0.182921137 0.184782083 0.201520591 0.206142846 0.217364360 0.221742628 0.229441268 0.243618198 0.257690596 0.262045486 0.269869080 0.301918489 0.306446476 0.322861667 0.347916101 0.413297579 0.436370069 0.479693700 0.531440943 0.572195546 0.586065134 0.623527204 0.646695311 0.682093265 0.702913343 0.753561972 0.757436697 0.763317991 0.774933949 0.784374748 0.789416934 0.790889477 0.805542906 0.813026897 0.820766244 0.825589449 0.825819743 0.851566634 0.856389786 0.862916859 0.870205475 0.877779548 0.892810245 0.899574301 0.914061324 0.920089550 0.921183543 0.966219353 0.969163343 0.977164942 0.986934359 1.034594228 1.380968302 1.484943994</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">110</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.61440448" y3="-1.33222949" z3="2.00252823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.63882432" y3="-1.74627355" z3="2.04216858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.94052845" y3="-2.13673522" z3="1.65425938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.60967009" y3="-0.53352457" z3="1.23609356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.19537091" y3="-0.79515317" z3="3.3689728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.15703308" y3="-0.41171481" z3="3.31125315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.19619274" y3="-1.6129437" z3="4.10894507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11461261" y3="0.30872663" z3="3.89328764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14068271" y3="-0.09116109" z3="3.96897963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14552967" y3="1.13953688" z3="3.15965773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69622853" y3="0.85169624" z3="5.25460755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29696276" y3="1.74135553" z3="5.54031182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64733867" y3="1.20405341" z3="5.21649087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85279437" y3="-0.13870531" z3="6.41240252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25497263" y3="-0.61943022" z3="8.82914016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23465876" y3="-1.04973224" z3="9.12442287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.8859992" y3="-0.06124818" z3="9.71714908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31289401" y3="-1.8027859" z3="8.54420674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.74685577" y3="-2.36654232" z3="7.69779296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30273399" y3="-2.4819592" z3="9.42091002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11901127" y3="-1.3887712" z3="8.19583919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.60589741" y3="-0.94345079" z3="9.08821096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.06893348" y3="-0.58692209" z3="7.4373826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.99594764" y3="-2.52221331" z3="7.65058661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.98539145" y3="-2.11140723" z3="7.37561214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.54605572" y3="-2.8992365" z3="6.71255731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.19401903" y3="-3.68948363" z3="8.61726269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59613979" y3="-3.33666309" z3="9.58080068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.23825169" y3="-4.2035208" z3="8.83165602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.89516739" y3="-4.43404586" z3="8.21318712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43227794" y3="-1.23188135" z3="6.22998992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42999953" y3="0.34025822" z3="7.67628029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76076306" y3="1.20855364" z3="7.65855725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30707383" y3="0.67756646" z3="5.88258506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57026494" y3="1.40998507" z3="5.51564599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25030321" y3="0.81707046" z3="5.3212215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90789076" y3="-0.33147613" z3="5.66814986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5157709" y3="0.85960481" z3="7.38156328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.81060911" y3="1.90501641" z3="7.58583586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3555791" y3="0.21523728" z3="7.7131628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28581127" y3="0.51099722" z3="8.22413638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91499039" y3="-0.48515416" z3="7.91286017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58453912" y3="0.42217057" z3="9.28510038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15971935" y3="1.56622526" z3="8.15665544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.23934719" y3="2.54149568" z3="7.39157207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64955623" y3="1.69527155" z3="9.14789631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6144,-1.3322,2.0025;-3.6388,-1.7463,2.0422;-1.9405,-2.1367,1.6543;-2.6097,-.5335,1.2361;-2.1954,-.7952,3.369;-1.157,-.4117,3.3113;-2.1962,-1.6129,4.1089;-3.1146,.3087,3.8933;-4.1407,-.0912,3.969;-3.1455,1.1395,3.1597;-2.6962,.8517,5.2546;-3.297,1.7414,5.5403;-1.6473,1.2041,5.2165;-2.8528,-.1387,6.4124;-2.255,-.6194,8.8291;-3.2347,-1.0497,9.1244;-1.886,-.0612,9.7171;-1.3129,-1.8028,8.5442;-1.7469,-2.3665,7.6978;-1.3027,-2.482,9.4209;.119,-1.3888,8.1958;.6059,-.9435,9.0882;.0689,-.5869,7.4374;.9959,-2.5222,7.6506;1.9854,-2.1114,7.3756;.5461,-2.8992,6.7126;1.194,-3.6895,8.6173;1.5961,-3.3367,9.5808;.2383,-4.2035,8.8317;1.8952,-4.434,8.2132;-3.4323,-1.2319,6.23;-2.43,.3403,7.6763;-1.7608,1.2086,7.6586;-6.3071,.6776,5.8826;-5.5703,1.41,5.5156;-7.2503,.8171,5.3212;-5.9079,-.3315,5.6681;-6.5158,.8596,7.3816;-6.8106,1.905,7.5858;-7.3556,.2152,7.7132;-5.2858,.511,8.2241;-4.915,-.4852,7.9129;-5.5845,.4222,9.2851;-4.1597,1.5662,8.1567;-4.2393,2.5415,7.3916;-3.6496,1.6953,9.1479;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724302099741</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005008775077 0.001456169251 0.034063108619 0.008512336464</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044255225 -0.004404293 0.000302264 0.000375206 0.000573143 0.000696788 0.000904741 0.001883738 0.002430232 0.002916014 0.003290963 0.005240792 0.005899475 0.006300269 0.006779965 0.009446205 0.010055295 0.010534959 0.013186991 0.014489382 0.017391489 0.017753504 0.018740941 0.020725367 0.022399233 0.024829938 0.025905014 0.030036799 0.030389028 0.034335037 0.035881452 0.039456400 0.041874772 0.045620653 0.046654887 0.049531236 0.049927393 0.050341389 0.051470011 0.052549609 0.052902404 0.057175569 0.058077311 0.059349011 0.062118558 0.065165395 0.066336870 0.066523597 0.069154059 0.073641139 0.076548902 0.078258654 0.079075611 0.080535767 0.081648643 0.085824568 0.088839144 0.092084917 0.093718515 0.105832188 0.106466164 0.111257060 0.113047339 0.113447670 0.118795210 0.120351406 0.125375162 0.129482014 0.131475052 0.138533063 0.144696342 0.147997700 0.152158095 0.153690314 0.158762597 0.167897845 0.173431023 0.179560862 0.183643085 0.185212331 0.201609641 0.206435377 0.217359504 0.221888300 0.229427270 0.243616483 0.257871318 0.262044154 0.270314002 0.302065270 0.306453061 0.323277024 0.349318415 0.414305322 0.436563804 0.479871325 0.531480803 0.572267992 0.586064795 0.623585258 0.646701625 0.682125445 0.702994935 0.754302111 0.757516249 0.763595933 0.774990893 0.784445774 0.789415878 0.792213466 0.805715026 0.813026033 0.820829290 0.825741988 0.827332424 0.851826753 0.858544761 0.863318960 0.871686016 0.878480896 0.892847729 0.900865235 0.915034575 0.920092325 0.921175284 0.966216123 0.970163462 0.977168389 0.988305601 1.035134321 1.380969413 1.484952213</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">111</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.59595278" y3="-1.33679089" z3="2.00832816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62387542" y3="-1.74324184" z3="2.03488177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.92391591" y3="-2.14628133" z3="1.66813393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.57560698" y3="-0.53793393" z3="1.24238254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.18965156" y3="-0.80327147" z3="3.38003689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14928354" y3="-0.42387902" z3="3.3339881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.20138953" y3="-1.62176603" z3="4.11898659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10985744" y3="0.30364783" z3="3.89630447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13681376" y3="-0.09474581" z3="3.96879106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13644898" y3="1.1318751" z3="3.15958121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69636382" y3="0.85210822" z3="5.25702374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30124503" y3="1.74011813" z3="5.53881299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64878904" y3="1.20832947" z3="5.219657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8504906" y3="-0.13477966" z3="6.41798668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25029146" y3="-0.60908823" z3="8.8335973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22619264" y3="-1.03613462" z3="9.12567585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.88257855" y3="-0.05434396" z3="9.7184673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31360911" y3="-1.79677215" z3="8.54676325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.74773933" y3="-2.36003599" z3="7.70544806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30223842" y3="-2.47357854" z3="9.42404667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11281697" y3="-1.38552852" z3="8.18858523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.60484645" y3="-0.93902976" z3="9.07505526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0619198" y3="-0.58714421" z3="7.42688636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.98226605" y3="-2.51824803" z3="7.64062567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.9720132" y3="-2.11127164" z3="7.35793961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.52747145" y3="-2.89301356" z3="6.70509821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.18110123" y3="-3.6890107" z3="8.60276832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.60133133" y3="-3.34445449" z3="9.5689872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.22981174" y3="-4.19968742" z3="8.81235961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.87488678" y3="-4.4456711" z3="8.1799792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42821583" y3="-1.23020862" z3="6.23902873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42754586" y3="0.3489993" z3="7.68033723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76292441" y3="1.22058585" z3="7.66039458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30718959" y3="0.6726065" z3="5.88454534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57263422" y3="1.40660522" z3="5.52286701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25274744" y3="0.80901488" z3="5.3243347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90457444" y3="-0.33027841" z3="5.66686945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5171166" y3="0.85667444" z3="7.3876782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.81646165" y3="1.89985541" z3="7.59222481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35508464" y3="0.21113288" z3="7.71663069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2858189" y3="0.508597" z3="8.22711749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91792242" y3="-0.48502898" z3="7.91554723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58719907" y3="0.42090095" z3="9.29239625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16425779" y3="1.56813265" z3="8.15565631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.24571263" y3="2.5410616" z3="7.38826179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.65469444" y3="1.7014297" z3="9.1468202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.596,-1.3368,2.0083;-3.6239,-1.7432,2.0349;-1.9239,-2.1463,1.6681;-2.5756,-.5379,1.2424;-2.1897,-.8033,3.38;-1.1493,-.4239,3.334;-2.2014,-1.6218,4.119;-3.1099,.3036,3.8963;-4.1368,-.0947,3.9688;-3.1364,1.1319,3.1596;-2.6964,.8521,5.257;-3.3012,1.7401,5.5388;-1.6488,1.2083,5.2197;-2.8505,-.1348,6.418;-2.2503,-.6091,8.8336;-3.2262,-1.0361,9.1257;-1.8826,-.0543,9.7185;-1.3136,-1.7968,8.5468;-1.7477,-2.36,7.7054;-1.3022,-2.4736,9.424;.1128,-1.3855,8.1886;.6048,-.939,9.0751;.0619,-.5871,7.4269;.9823,-2.5182,7.6406;1.972,-2.1113,7.3579;.5275,-2.893,6.7051;1.1811,-3.689,8.6028;1.6013,-3.3445,9.569;.2298,-4.1997,8.8124;1.8749,-4.4457,8.18;-3.4282,-1.2302,6.239;-2.4275,.349,7.6803;-1.7629,1.2206,7.6604;-6.3072,.6726,5.8845;-5.5726,1.4066,5.5229;-7.2527,.809,5.3243;-5.9046,-.3303,5.6669;-6.5171,.8567,7.3877;-6.8165,1.8999,7.5922;-7.3551,.2111,7.7166;-5.2858,.5086,8.2271;-4.9179,-.485,7.9155;-5.5872,.4209,9.2924;-4.1643,1.5681,8.1557;-4.2457,2.5411,7.3883;-3.6547,1.7014,9.1468;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724283031552</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005084601719 0.001461936213 0.030660363441 0.008512602832</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044233900 -0.004667822 0.000330654 0.000369489 0.000595353 0.000696333 0.000921437 0.001976568 0.002437670 0.002917729 0.003291384 0.005273279 0.005899208 0.006304898 0.006805984 0.009468701 0.010282800 0.010610292 0.013186062 0.014503474 0.017383637 0.017836446 0.018771927 0.020723464 0.022532996 0.024916843 0.025921375 0.030072457 0.030652180 0.034375908 0.036203053 0.039456286 0.041871852 0.045672407 0.046745756 0.049531477 0.049954736 0.050341493 0.051475797 0.052547785 0.052906229 0.057180163 0.058135294 0.059346199 0.062242582 0.065170883 0.066338272 0.067006284 0.069643146 0.073982127 0.076547108 0.078272571 0.079185351 0.080535249 0.081649913 0.085828872 0.088846812 0.092095022 0.093722769 0.105824390 0.106564254 0.111257796 0.113089749 0.114882397 0.118988928 0.120397164 0.125431490 0.129798987 0.131501920 0.140438943 0.145663986 0.148614278 0.152345723 0.153711738 0.158769780 0.168219963 0.173434617 0.179555484 0.183867699 0.185493137 0.201609985 0.206620675 0.217368094 0.221875526 0.229625724 0.243670070 0.258083535 0.262078061 0.270891542 0.302154824 0.306453815 0.323403798 0.349844112 0.414666738 0.436610472 0.479874715 0.531560429 0.572392323 0.586105016 0.623832831 0.646701780 0.682123978 0.703122463 0.755328621 0.758444490 0.763688514 0.775176291 0.784449074 0.789417417 0.792358635 0.805905188 0.813082231 0.821020330 0.825742124 0.827728298 0.851915289 0.860461320 0.864236503 0.872958488 0.878912076 0.892864275 0.902670457 0.915744836 0.920141895 0.922017414 0.966222263 0.971517319 0.977195395 0.989073527 1.036328814 1.381046997 1.484953276</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">112</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.57525224" y3="-1.34012919" z3="2.01210623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60417644" y3="-1.74358618" z3="2.02774613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.90254813" y3="-2.15100285" z3="1.6775322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.54494661" y3="-0.54089798" z3="1.2474657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.18081481" y3="-0.80888718" z3="3.38822163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14018337" y3="-0.42996241" z3="3.35155319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.19885011" y3="-1.62820811" z3="4.1257743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1047907" y3="0.29765895" z3="3.89836648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13094158" y3="-0.1028416" z3="3.96888457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13092035" y3="1.12334" z3="3.15895787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69666118" y3="0.85165461" z3="5.25855062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30534481" y3="1.7383822" z3="5.53622966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65036135" y3="1.21171658" z3="5.22222008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84989303" y3="-0.13286238" z3="6.4215634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24826833" y3="-0.60196384" z3="8.83845721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2270176" y3="-1.02596346" z3="9.1420668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.8718308" y3="-0.04297913" z3="9.72059625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31421691" y3="-1.78909928" z3="8.55179411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.76808322" y3="-2.35810936" z3="7.71317115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29784694" y3="-2.46361293" z3="9.43140101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11080562" y3="-1.38215011" z3="8.18168344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62009385" y3="-0.93677616" z3="9.06637055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.05381324" y3="-0.58288036" z3="7.42083598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.97202269" y3="-2.5207237" z3="7.62263432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.96182252" y3="-2.11797059" z3="7.3336911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.50251218" y3="-2.89125216" z3="6.68908057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.17449834" y3="-3.69258345" z3="8.58281956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59941789" y3="-3.34610493" z3="9.54358189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.21274631" y3="-4.19538953" z3="8.81259601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.86219792" y3="-4.44523445" z3="8.1644479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42591672" y3="-1.22921338" z3="6.24384145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42768703" y3="0.35248528" z3="7.68239924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76615797" y3="1.22632727" z3="7.66195443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3125547" y3="0.67158108" z3="5.88790795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57958502" y3="1.40777605" z3="5.52184669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25764655" y3="0.80929476" z3="5.33055095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90893158" y3="-0.33615867" z3="5.67164874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5207791" y3="0.85335002" z3="7.39042995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82393287" y3="1.89763102" z3="7.59501284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35690278" y3="0.20525492" z3="7.72003437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2873407" y3="0.50941894" z3="8.23202464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9115675" y3="-0.4831548" z3="7.91803393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.583405" y3="0.41593909" z3="9.29224559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16886214" y3="1.57102329" z3="8.16018331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.25325483" y3="2.54171172" z3="7.39006281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.65642636" y3="1.70560859" z3="9.14931144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5753,-1.3401,2.0121;-3.6042,-1.7436,2.0277;-1.9025,-2.151,1.6775;-2.5449,-.5409,1.2475;-2.1808,-.8089,3.3882;-1.1402,-.43,3.3516;-2.1989,-1.6282,4.1258;-3.1048,.2977,3.8984;-4.1309,-.1028,3.9689;-3.1309,1.1233,3.159;-2.6967,.8517,5.2586;-3.3053,1.7384,5.5362;-1.6504,1.2117,5.2222;-2.8499,-.1329,6.4216;-2.2483,-.602,8.8385;-3.227,-1.026,9.1421;-1.8718,-.043,9.7206;-1.3142,-1.7891,8.5518;-1.7681,-2.3581,7.7132;-1.2978,-2.4636,9.4314;.1108,-1.3822,8.1817;.6201,-.9368,9.0664;.0538,-.5829,7.4208;.972,-2.5207,7.6226;1.9618,-2.118,7.3337;.5025,-2.8913,6.6891;1.1745,-3.6926,8.5828;1.5994,-3.3461,9.5436;.2127,-4.1954,8.8126;1.8622,-4.4452,8.1644;-3.4259,-1.2292,6.2438;-2.4277,.3525,7.6824;-1.7662,1.2263,7.662;-6.3126,.6716,5.8879;-5.5796,1.4078,5.5218;-7.2576,.8093,5.3306;-5.9089,-.3362,5.6716;-6.5208,.8534,7.3904;-6.8239,1.8976,7.595;-7.3569,.2053,7.72;-5.2873,.5094,8.232;-4.9116,-.4832,7.918;-5.5834,.4159,9.2922;-4.1689,1.571,8.1602;-4.2533,2.5417,7.3901;-3.6564,1.7056,9.1493;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724244976053</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008936084928 0.001674573503 0.026329667550 0.008513410716</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044273017 -0.005551525 0.000355578 0.000387573 0.000609280 0.000708058 0.000915592 0.001972318 0.002440681 0.002917475 0.003292064 0.005306040 0.005901920 0.006284295 0.006808492 0.009495857 0.010287179 0.010639333 0.013205672 0.014505346 0.017410900 0.017892708 0.018770787 0.020749492 0.022562999 0.024900337 0.025933676 0.030087559 0.030682305 0.034372966 0.036371788 0.039459178 0.041904187 0.045701389 0.046761603 0.049531012 0.049992693 0.050341849 0.051486613 0.052547979 0.052913340 0.057325567 0.058181796 0.059398879 0.062270422 0.065200732 0.066338104 0.067226520 0.070476967 0.074972831 0.076545345 0.078306595 0.079674111 0.080856656 0.081684854 0.085868721 0.088864814 0.092093887 0.093723371 0.105851690 0.106679840 0.111266188 0.113093268 0.115793211 0.119178482 0.120453663 0.125521784 0.130179408 0.131498680 0.142301425 0.146923497 0.149585965 0.152755082 0.153757523 0.158836939 0.168468238 0.173692675 0.179596815 0.183957369 0.185693123 0.201855841 0.206833169 0.217367465 0.222041460 0.230150736 0.244011000 0.258149737 0.262121495 0.272178808 0.302153889 0.306460620 0.323399711 0.349863015 0.414653561 0.436613056 0.479907103 0.531566541 0.572431477 0.586105124 0.623985599 0.646710153 0.682165416 0.703160783 0.755637235 0.759695912 0.765713633 0.775321262 0.784449317 0.789427668 0.792356310 0.806146789 0.813239670 0.821549270 0.825748998 0.827735478 0.851981374 0.860729311 0.866563871 0.873491723 0.879315321 0.892876184 0.904204551 0.915790442 0.920179099 0.926169750 0.966340506 0.972258271 0.977409882 0.989856169 1.038069014 1.381080718 1.484957724</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">113</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.55396442" y3="-1.34637509" z3="2.01867646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58245459" y3="-1.75081787" z3="2.02674766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.87789294" y3="-2.15690604" z3="1.68961882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.51861695" y3="-0.54769955" z3="1.25370583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.17026807" y3="-0.81354789" z3="3.39716889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.13059807" y3="-0.43165366" z3="3.36692535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.1902467" y3="-1.63263889" z3="4.13499252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10074804" y3="0.29059503" z3="3.90120658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12529553" y3="-0.11439941" z3="3.97084353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12877419" y3="1.11358985" z3="3.1588453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69826962" y3="0.85087158" z3="5.26043894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31048382" y3="1.73646115" z3="5.53361844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65317403" y3="1.21431987" z3="5.22558813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85117734" y3="-0.13032084" z3="6.426285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24700321" y3="-0.59059097" z3="8.84536145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22308807" y3="-1.01185702" z3="9.15528961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.86466669" y3="-0.03016514" z3="9.72288546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31883939" y3="-1.7831384" z3="8.55327236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.76572318" y3="-2.34793727" z3="7.72146335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29498746" y3="-2.45467869" z3="9.4354913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.10675394" y3="-1.38016806" z3="8.17227059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61314703" y3="-0.93993649" z3="9.05121957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.04591927" y3="-0.57846747" z3="7.41460359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.95786624" y3="-2.52031746" z3="7.60807563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.94773789" y3="-2.12174227" z3="7.30927839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.48804309" y3="-2.89119455" z3="6.68069101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.15990856" y3="-3.69116698" z3="8.56880167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59012083" y3="-3.34837315" z3="9.52685482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.21041809" y3="-4.19613393" z3="8.79032413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.84271792" y3="-4.45076321" z3="8.13940811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4255413" y3="-1.22784067" z3="6.25099904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43065403" y3="0.3602557" z3="7.68634071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76936211" y3="1.23408768" z3="7.66199535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31530728" y3="0.67012611" z3="5.89299947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5832934" y3="1.40630052" z3="5.52758347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2634464" y3="0.80765037" z3="5.33574898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.91570614" y3="-0.33217857" z3="5.67235717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52083849" y3="0.85032896" z3="7.39448152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82106068" y3="1.89127859" z3="7.60036979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35447046" y3="0.19980552" z3="7.72663303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28648458" y3="0.50780186" z3="8.23102043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91006845" y3="-0.48204641" z3="7.91461875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58445588" y3="0.41279188" z3="9.2965465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17125897" y3="1.57312988" z3="8.16146944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.25732518" y3="2.54446864" z3="7.39286081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66105601" y3="1.70964895" z3="9.15191127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.554,-1.3464,2.0187;-3.5825,-1.7508,2.0267;-1.8779,-2.1569,1.6896;-2.5186,-.5477,1.2537;-2.1703,-.8135,3.3972;-1.1306,-.4317,3.3669;-2.1902,-1.6326,4.135;-3.1007,.2906,3.9012;-4.1253,-.1144,3.9708;-3.1288,1.1136,3.1588;-2.6983,.8509,5.2604;-3.3105,1.7365,5.5336;-1.6532,1.2143,5.2256;-2.8512,-.1303,6.4263;-2.247,-.5906,8.8454;-3.2231,-1.0119,9.1553;-1.8647,-.0302,9.7229;-1.3188,-1.7831,8.5533;-1.7657,-2.3479,7.7215;-1.295,-2.4547,9.4355;.1068,-1.3802,8.1723;.6131,-.9399,9.0512;.0459,-.5785,7.4146;.9579,-2.5203,7.6081;1.9477,-2.1217,7.3093;.488,-2.8912,6.6807;1.1599,-3.6912,8.5688;1.5901,-3.3484,9.5269;.2104,-4.1961,8.7903;1.8427,-4.4508,8.1394;-3.4255,-1.2278,6.251;-2.4307,.3603,7.6863;-1.7694,1.2341,7.662;-6.3153,.6701,5.893;-5.5833,1.4063,5.5276;-7.2634,.8077,5.3357;-5.9157,-.3322,5.6724;-6.5208,.8503,7.3945;-6.8211,1.8913,7.6004;-7.3545,.1998,7.7266;-5.2865,.5078,8.231;-4.9101,-.482,7.9146;-5.5845,.4128,9.2965;-4.1713,1.5731,8.1615;-4.2573,2.5445,7.3929;-3.6611,1.7096,9.1519;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724218456136</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009989063565 0.001678606870 0.028036687807 0.008511209496</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044219707 -0.005418912 0.000364886 0.000372649 0.000607170 0.000709561 0.000914666 0.001971752 0.002468114 0.002917406 0.003302585 0.005309468 0.005909289 0.006282279 0.006809205 0.009510048 0.010311481 0.010645312 0.013249039 0.014519763 0.017441792 0.018464910 0.018772515 0.020783157 0.022568323 0.024908926 0.026001471 0.030087597 0.030684269 0.034380239 0.036408194 0.039464914 0.041993491 0.045699289 0.046784512 0.049549409 0.050015167 0.050344528 0.051485111 0.052578289 0.052917930 0.057569342 0.058180554 0.059520331 0.062267842 0.065195197 0.066338725 0.067238919 0.070720729 0.075642215 0.076544134 0.078344733 0.080098194 0.081454361 0.082342507 0.085924537 0.088916911 0.092131436 0.093726139 0.105851768 0.107001836 0.111268576 0.113092972 0.116038534 0.119294715 0.120546654 0.125629222 0.130543796 0.131499977 0.143140786 0.147728333 0.150540835 0.153589876 0.154385748 0.158971270 0.168586459 0.174143689 0.179938894 0.183969621 0.185717813 0.202240983 0.206955931 0.217376368 0.222292096 0.230697353 0.244332390 0.258162476 0.262132466 0.273298381 0.302283499 0.306485206 0.323432292 0.349909230 0.414767485 0.436705961 0.479984180 0.531567014 0.572442679 0.586154232 0.623982573 0.646765079 0.682302076 0.703178653 0.755640526 0.759801454 0.768996942 0.776092760 0.784453151 0.789430744 0.792357664 0.806356853 0.813284612 0.822265687 0.825778322 0.827785494 0.852011340 0.860775720 0.868595344 0.873592261 0.879995374 0.892900941 0.904946958 0.915835716 0.920198612 0.932733486 0.966414324 0.973416029 0.977953876 0.991161682 1.039783821 1.381112316 1.484977358</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">114</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.53243145" y3="-1.35408704" z3="2.02538938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55841835" y3="-1.76455274" z3="2.02977026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85000095" y3="-2.16139564" z3="1.7013627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.49830077" y3="-0.55711723" z3="1.25873166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.15805013" y3="-0.81538439" z3="3.40416027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.12092231" y3="-0.42654575" z3="3.37698629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.17493166" y3="-1.63307034" z3="4.14364949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09757133" y3="0.28388544" z3="3.9025002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11956756" y3="-0.127844" z3="3.97183854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12972558" y3="1.10439263" z3="3.15757707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70090961" y3="0.85079416" z3="5.26066203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31759902" y3="1.73447567" z3="5.52999143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65729972" y3="1.21866439" z3="5.22729189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85206259" y3="-0.1273955" z3="6.42885926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24534676" y3="-0.58296473" z3="8.8474233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22018244" y3="-1.00175685" z3="9.16012915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.86019767" y3="-0.0214469" z3="9.72185663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31944909" y3="-1.77681543" z3="8.55768434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.77977024" y3="-2.34840413" z3="7.72889716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.2965801" y3="-2.4457646" z3="9.44032425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.10120541" y3="-1.37763991" z3="8.16723778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62495366" y3="-0.93653523" z3="9.04444167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.03934274" y3="-0.57735475" z3="7.40840063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.94703526" y3="-2.51902052" z3="7.59434648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.93313418" y3="-2.12226735" z3="7.29522657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.46000641" y3="-2.88273357" z3="6.66543977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.15372643" y3="-3.69650391" z3="8.5471083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59872074" y3="-3.35737061" z3="9.50464517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.19075616" y3="-4.19104349" z3="8.78732316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.82853706" y3="-4.45583327" z3="8.11501944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4252515" y3="-1.22594628" z3="6.25614199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43251132" y3="0.36646276" z3="7.68808313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77238918" y3="1.2412554" z3="7.6613599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31871975" y3="0.67212828" z3="5.89646818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58491987" y3="1.40746066" z3="5.53348015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2651329" y3="0.81311961" z3="5.34365499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.91501598" y3="-0.33510261" z3="5.67504258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52332602" y3="0.84880761" z3="7.40066469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82919979" y3="1.89282554" z3="7.60682108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35719706" y3="0.19801979" z3="7.73112336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28742454" y3="0.50662463" z3="8.23639124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91198739" y3="-0.48326497" z3="7.91697252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57940766" y3="0.4054369" z3="9.29817066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17314348" y3="1.57394991" z3="8.16287277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.2623352" y3="2.54482477" z3="7.3931205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66410793" y3="1.71248984" z3="9.15324625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5324,-1.3541,2.0254;-3.5584,-1.7646,2.0298;-1.85,-2.1614,1.7014;-2.4983,-.5571,1.2587;-2.1581,-.8154,3.4042;-1.1209,-.4265,3.377;-2.1749,-1.6331,4.1436;-3.0976,.2839,3.9025;-4.1196,-.1278,3.9718;-3.1297,1.1044,3.1576;-2.7009,.8508,5.2607;-3.3176,1.7345,5.53;-1.6573,1.2187,5.2273;-2.8521,-.1274,6.4289;-2.2453,-.583,8.8474;-3.2202,-1.0018,9.1601;-1.8602,-.0214,9.7219;-1.3194,-1.7768,8.5577;-1.7798,-2.3484,7.7289;-1.2966,-2.4458,9.4403;.1012,-1.3776,8.1672;.625,-.9365,9.0444;.0393,-.5774,7.4084;.947,-2.519,7.5943;1.9331,-2.1223,7.2952;.46,-2.8827,6.6654;1.1537,-3.6965,8.5471;1.5987,-3.3574,9.5046;.1908,-4.191,8.7873;1.8285,-4.4558,8.115;-3.4253,-1.2259,6.2561;-2.4325,.3665,7.6881;-1.7724,1.2413,7.6614;-6.3187,.6721,5.8965;-5.5849,1.4075,5.5335;-7.2651,.8131,5.3437;-5.915,-.3351,5.675;-6.5233,.8488,7.4007;-6.8292,1.8928,7.6068;-7.3572,.198,7.7311;-5.2874,.5066,8.2364;-4.912,-.4833,7.917;-5.5794,.4054,9.2982;-4.1731,1.5739,8.1629;-4.2623,2.5448,7.3931;-3.6641,1.7125,9.1532;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724212404833</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008224371785 0.001537254251 0.030593175567 0.008512827339</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044183229 -0.004330017 0.000342694 0.000391186 0.000626659 0.000707979 0.000931594 0.001978967 0.002485018 0.002917570 0.003315766 0.005311677 0.005909865 0.006269487 0.006820682 0.009508738 0.010325553 0.010655527 0.013247078 0.014556520 0.017464047 0.018695895 0.019357697 0.020779006 0.022745956 0.024916984 0.026012201 0.030087441 0.030728144 0.034410903 0.036437826 0.039469966 0.042093477 0.045707101 0.046935482 0.049585417 0.050023031 0.050355071 0.051485253 0.052624833 0.052925953 0.057699573 0.058179563 0.059674090 0.062314884 0.065222261 0.066341368 0.067269377 0.070730087 0.075690846 0.076544518 0.078381584 0.080149081 0.081512068 0.083480271 0.085968001 0.089093117 0.092388229 0.093732019 0.105967384 0.107186501 0.111301242 0.113093738 0.116030268 0.119309818 0.120686227 0.125889970 0.130796895 0.131675933 0.143376615 0.147859803 0.150720047 0.153677838 0.155654282 0.159102436 0.168654012 0.174542438 0.180247760 0.183983300 0.185714277 0.202287717 0.207065835 0.217379390 0.222617163 0.231010166 0.244819528 0.258183789 0.262155434 0.274350167 0.302530136 0.306503229 0.323536848 0.350176874 0.414935550 0.436800712 0.480049359 0.531578137 0.572468201 0.586175947 0.624366619 0.646915604 0.682416325 0.703359580 0.755670520 0.759799457 0.770901647 0.777261336 0.784466964 0.789473410 0.792622191 0.806534650 0.813283030 0.822835546 0.825808939 0.827898486 0.852010950 0.860891296 0.869522107 0.873645779 0.881479534 0.892901756 0.905048254 0.916162496 0.920206554 0.937829954 0.966606715 0.974204128 0.978671947 0.993596836 1.040924067 1.381113935 1.484982940</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">115</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51203902" y3="-1.36289767" z3="2.03397728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53231968" y3="-1.78673701" z3="2.04032254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.81940777" y3="-2.16269746" z3="1.71352772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.48839455" y3="-0.56929669" z3="1.26375985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.14408279" y3="-0.81294868" z3="3.41005677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.11138511" y3="-0.41280441" z3="3.3811478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.15189023" y3="-1.62747702" z3="4.15327619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09518684" y3="0.27856964" z3="3.9035552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1132781" y3="-0.14267828" z3="3.97240353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13379578" y3="1.09683372" z3="3.15654883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70553159" y3="0.85125348" z3="5.26128996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.32746067" y3="1.73203381" z3="5.52823824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66402552" y3="1.22525883" z3="5.22988084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8548277" y3="-0.12609411" z3="6.43025052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24605543" y3="-0.57633678" z3="8.85135584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22208467" y3="-0.99199413" z3="9.17610722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.8521871" y3="-0.0107143" z3="9.72165681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32365712" y3="-1.77213307" z3="8.559637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.79003038" y3="-2.34701359" z3="7.73713465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29254662" y3="-2.43582826" z3="9.44832386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09806538" y3="-1.37598818" z3="8.15748954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62542494" y3="-0.93669205" z3="9.02972051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.03165383" y3="-0.57562135" z3="7.39862254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.93422913" y3="-2.52073456" z3="7.58067136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.92531723" y3="-2.12866363" z3="7.26721511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.45085422" y3="-2.88580643" z3="6.65911221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.14161909" y3="-3.6957412" z3="8.53527228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58325407" y3="-3.35961071" z3="9.48814735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.18968982" y3="-4.19399765" z3="8.76946089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.81376338" y3="-4.45673651" z3="8.09715029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42406571" y3="-1.22597956" z3="6.25777555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43890101" y3="0.37097358" z3="7.69025965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77751515" y3="1.24468894" z3="7.66102588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3186098" y3="0.6733352" z3="5.90063482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58626376" y3="1.41085777" z3="5.53731226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26796654" y3="0.81602768" z3="5.34431208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92271866" y3="-0.32909273" z3="5.67591859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52406834" y3="0.84986971" z3="7.4047161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82898523" y3="1.88965734" z3="7.61314682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35746122" y3="0.19798742" z3="7.73380332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28720265" y3="0.50581425" z3="8.2396521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91097472" y3="-0.4832973" z3="7.9185196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58179932" y3="0.4040087" z3="9.30581625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17154802" y3="1.57165703" z3="8.16587973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26434247" y3="2.54321689" z3="7.39598915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66523063" y3="1.71402554" z3="9.15781361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.512,-1.3629,2.034;-3.5323,-1.7867,2.0403;-1.8194,-2.1627,1.7135;-2.4884,-.5693,1.2638;-2.1441,-.8129,3.4101;-1.1114,-.4128,3.3811;-2.1519,-1.6275,4.1533;-3.0952,.2786,3.9036;-4.1133,-.1427,3.9724;-3.1338,1.0968,3.1565;-2.7055,.8513,5.2613;-3.3275,1.732,5.5282;-1.664,1.2253,5.2299;-2.8548,-.1261,6.4303;-2.2461,-.5763,8.8514;-3.2221,-.992,9.1761;-1.8522,-.0107,9.7217;-1.3237,-1.7721,8.5596;-1.79,-2.347,7.7371;-1.2925,-2.4358,9.4483;.0981,-1.376,8.1575;.6254,-.9367,9.0297;.0317,-.5756,7.3986;.9342,-2.5207,7.5807;1.9253,-2.1287,7.2672;.4509,-2.8858,6.6591;1.1416,-3.6957,8.5353;1.5833,-3.3596,9.4881;.1897,-4.194,8.7695;1.8138,-4.4567,8.0972;-3.4241,-1.226,6.2578;-2.4389,.371,7.6903;-1.7775,1.2447,7.661;-6.3186,.6733,5.9006;-5.5863,1.4109,5.5373;-7.268,.816,5.3443;-5.9227,-.3291,5.6759;-6.5241,.8499,7.4047;-6.829,1.8897,7.6131;-7.3575,.198,7.7338;-5.2872,.5058,8.2397;-4.911,-.4833,7.9185;-5.5818,.404,9.3058;-4.1715,1.5717,8.1659;-4.2643,2.5432,7.396;-3.6652,1.714,9.1578;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724192866077</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007307771089 0.001491285760 0.028332344816 0.008511396194</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044322327 -0.004904185 0.000310353 0.000382882 0.000647090 0.000701594 0.000966726 0.002051388 0.002506235 0.002920753 0.003427142 0.005330069 0.005914280 0.006296094 0.006825205 0.009507794 0.010326034 0.010701139 0.013251074 0.014685250 0.017534891 0.018692518 0.020579293 0.020779446 0.023218965 0.024914321 0.026012580 0.030096676 0.030828832 0.034416902 0.036485950 0.039475067 0.042188723 0.045737549 0.047185437 0.049622291 0.050022681 0.050353294 0.051486328 0.052679669 0.052945723 0.057725141 0.058180686 0.059726913 0.062406985 0.065350428 0.066342135 0.067411777 0.070809575 0.075789369 0.076543960 0.078510924 0.080166324 0.081512833 0.083677553 0.085965179 0.089228047 0.092732592 0.093746080 0.106275340 0.107547697 0.111574121 0.113093590 0.116108373 0.119309191 0.120870705 0.126430686 0.130902674 0.132357952 0.143434145 0.147853163 0.150709074 0.153698326 0.156398834 0.159087241 0.168682010 0.174729537 0.180494731 0.183978076 0.185707855 0.202594726 0.207109000 0.217400831 0.222876146 0.231173558 0.245111495 0.258232720 0.262150690 0.275243627 0.302728718 0.306508807 0.323681015 0.350416196 0.415057971 0.436827714 0.480047321 0.531646318 0.572538748 0.586244366 0.625821155 0.647264090 0.682469944 0.703558870 0.755714089 0.759921233 0.771383553 0.778363264 0.784616205 0.789476036 0.794466403 0.806725549 0.813302104 0.822913101 0.825809642 0.828070964 0.852014847 0.861004836 0.869537699 0.874031454 0.883742897 0.892903138 0.905065921 0.916618561 0.920210902 0.938389483 0.966960256 0.974831979 0.979005121 0.996818903 1.042205450 1.381135232 1.484982892</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">116</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.49596344" y3="-1.37301351" z3="2.04564959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50890856" y3="-1.8145465" z3="2.06009381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.79107543" y3="-2.16320421" z3="1.72749659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.48965062" y3="-0.58415405" z3="1.26983472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.13051107" y3="-0.80765233" z3="3.41601434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.10321221" y3="-0.39399322" z3="3.3805194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.12491227" y3="-1.61731316" z3="4.16493942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09388911" y3="0.27506685" z3="3.9053099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10744149" y3="-0.15704626" z3="3.97520659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14050062" y3="1.09099348" z3="3.15612708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71080942" y3="0.85386355" z3="5.26224829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.3384137" y3="1.73143193" z3="5.52658535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6716923" y3="1.23418022" z3="5.23273429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85759309" y3="-0.12258308" z3="6.43230336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24557552" y3="-0.57050828" z3="8.85262311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.21764263" y3="-0.98524074" z3="9.17596677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.85170159" y3="-0.00653769" z3="9.72066227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32479197" y3="-1.76811507" z3="8.56019179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.78437849" y3="-2.33965068" z3="7.74105124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29180367" y3="-2.43131887" z3="9.44697782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09499453" y3="-1.37609445" z3="8.15529214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62317079" y3="-0.9410735" z3="9.02475406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02669203" y3="-0.57328807" z3="7.39933752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.92664891" y3="-2.52315285" z3="7.569046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.91007334" y3="-2.13182353" z3="7.26097839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.42635796" y3="-2.88208905" z3="6.64539293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.13506809" y3="-3.70283253" z3="8.51779324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5973893" y3="-3.3675687" z3="9.47042965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.17377185" y3="-4.19229068" z3="8.76789125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.798743" y3="-4.46762562" z3="8.0727653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42625501" y3="-1.22279855" z3="6.261133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44111032" y3="0.37616531" z3="7.69154241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77909866" y3="1.24940699" z3="7.66013375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32427383" y3="0.67488458" z3="5.90245866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58963209" y3="1.41099837" z3="5.54157619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27058987" y3="0.81876708" z3="5.35109995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92293083" y3="-0.33210193" z3="5.67699722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5252689" y3="0.84787067" z3="7.40541849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82996897" y3="1.89186012" z3="7.61324004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35650805" y3="0.19387421" z3="7.73668238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28750504" y3="0.50734118" z3="8.239211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91019632" y3="-0.48051765" z3="7.91576793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57641143" y3="0.40140755" z3="9.30095811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17285831" y3="1.57549932" z3="8.16707531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26627213" y3="2.54811673" z3="7.39910711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66753163" y3="1.71686283" z3="9.15927048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.496,-1.373,2.0456;-3.5089,-1.8145,2.0601;-1.7911,-2.1632,1.7275;-2.4897,-.5842,1.2698;-2.1305,-.8077,3.416;-1.1032,-.394,3.3805;-2.1249,-1.6173,4.1649;-3.0939,.2751,3.9053;-4.1074,-.157,3.9752;-3.1405,1.091,3.1561;-2.7108,.8539,5.2622;-3.3384,1.7314,5.5266;-1.6717,1.2342,5.2327;-2.8576,-.1226,6.4323;-2.2456,-.5705,8.8526;-3.2176,-.9852,9.176;-1.8517,-.0065,9.7207;-1.3248,-1.7681,8.5602;-1.7844,-2.3397,7.7411;-1.2918,-2.4313,9.447;.095,-1.3761,8.1553;.6232,-.9411,9.0248;.0267,-.5733,7.3993;.9266,-2.5232,7.569;1.9101,-2.1318,7.261;.4264,-2.8821,6.6454;1.1351,-3.7028,8.5178;1.5974,-3.3676,9.4704;.1738,-4.1923,8.7679;1.7987,-4.4676,8.0728;-3.4263,-1.2228,6.2611;-2.4411,.3762,7.6915;-1.7791,1.2494,7.6601;-6.3243,.6749,5.9025;-5.5896,1.411,5.5416;-7.2706,.8188,5.3511;-5.9229,-.3321,5.677;-6.5253,.8479,7.4054;-6.83,1.8919,7.6132;-7.3565,.1939,7.7367;-5.2875,.5073,8.2392;-4.9102,-.4805,7.9158;-5.5764,.4014,9.301;-4.1729,1.5755,8.1671;-4.2663,2.5481,7.3991;-3.6675,1.7169,9.1593;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724149016706</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008127563852 0.001739474053 0.032398902703 0.008512217620</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044433187 -0.006050596 0.000275752 0.000390785 0.000660437 0.000686133 0.000967446 0.002093595 0.002528152 0.002922898 0.003474537 0.005381102 0.005937072 0.006293324 0.006828174 0.009506999 0.010348284 0.010750125 0.013279742 0.014861602 0.017628351 0.018690898 0.020773474 0.021515792 0.023920814 0.025071771 0.026055814 0.030141930 0.030983756 0.034417008 0.036559345 0.039475869 0.042278535 0.045774555 0.047282910 0.049622785 0.050022253 0.050352195 0.051485764 0.052686744 0.052947622 0.057736715 0.058179504 0.059727937 0.062413514 0.065440433 0.066343269 0.067492873 0.071121355 0.076475898 0.076602570 0.078949155 0.080196217 0.081525095 0.083705772 0.086020882 0.089269277 0.092915488 0.093744147 0.106519017 0.108179916 0.111999895 0.113093664 0.116298550 0.119315804 0.121024859 0.127369945 0.130913800 0.134028708 0.143432392 0.147993357 0.150768040 0.153708025 0.156775890 0.159264057 0.168731434 0.174800729 0.180707432 0.183978921 0.185780521 0.204575459 0.207145591 0.217405377 0.223294170 0.231301891 0.245371026 0.258366715 0.262151788 0.276136844 0.302854418 0.306530547 0.323841121 0.350681112 0.415065164 0.436827790 0.480045458 0.531747991 0.572810023 0.586305248 0.628922707 0.647870803 0.682472476 0.703614969 0.755735858 0.759943492 0.771478302 0.778686664 0.784751766 0.789489779 0.798718798 0.807129581 0.813310195 0.822976324 0.825823213 0.828103859 0.852024034 0.861141685 0.869637439 0.874555724 0.887678427 0.892919134 0.905304783 0.917255760 0.920226237 0.938820680 0.967015761 0.975553119 0.979031546 0.999196594 1.043383707 1.381161093 1.485021232</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">117</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.48224009" y3="-1.38290115" z3="2.05729112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48577894" y3="-1.84598071" z3="2.08520549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.76338248" y3="-2.16068334" z3="1.73925363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.50004036" y3="-0.60001722" z3="1.27497421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.11608426" y3="-0.79895579" z3="3.41979535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09548707" y3="-0.36930395" z3="3.3736389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.09251336" y3="-1.60237194" z3="4.17552146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09277786" y3="0.27297352" z3="3.90650931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10109145" y3="-0.17110565" z3="3.97779754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14914755" y3="1.0870067" z3="3.15599714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71568794" y3="0.85697479" z3="5.26269089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.34933467" y3="1.73054459" z3="5.52613529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.67915299" y3="1.24450532" z3="5.2346849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85774285" y3="-0.11972435" z3="6.432761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24493839" y3="-0.56599694" z3="8.85356552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.21870513" y3="-0.97862215" z3="9.18288359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84547363" y3="0.00028739" z3="9.7199344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32664898" y3="-1.76625812" z3="8.56081658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.80528606" y3="-2.34551793" z3="7.74264645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29392744" y3="-2.42665221" z3="9.44995132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09121906" y3="-1.37776206" z3="8.14777234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.63654014" y3="-0.94303659" z3="9.01818659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02445219" y3="-0.57508455" z3="7.39242902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.91673241" y3="-2.5242374" z3="7.5613294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.90671165" y3="-2.13633255" z3="7.24118083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.41957522" y3="-2.88222161" z3="6.64197249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.12875317" y3="-3.70542212" z3="8.50851473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58444496" y3="-3.37590165" z3="9.45719529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.17373189" y3="-4.19600502" z3="8.75403959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.79008449" y3="-4.46936544" z3="8.06190268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42247309" y3="-1.22211227" z3="6.26230123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44321436" y3="0.38081098" z3="7.69265586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78150146" y3="1.25434691" z3="7.66046682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32283946" y3="0.67621717" z3="5.9045411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58984678" y3="1.41333825" z3="5.54213611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27164955" y3="0.82187366" z3="5.34932508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92931065" y3="-0.32738088" z3="5.67756531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52557486" y3="0.85047814" z3="7.40935098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82979229" y3="1.89049957" z3="7.61911036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35884574" y3="0.19799932" z3="7.74002492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28795343" y3="0.50508956" z3="8.24013355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91580381" y3="-0.48396329" z3="7.9171141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57972862" y3="0.40170303" z3="9.30697081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17241337" y3="1.57358143" z3="8.16476419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.2688272" y3="2.54682054" z3="7.39602188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67099782" y3="1.71832226" z3="9.15882892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4822,-1.3829,2.0573;-3.4858,-1.846,2.0852;-1.7634,-2.1607,1.7393;-2.5,-.6,1.275;-2.1161,-.799,3.4198;-1.0955,-.3693,3.3736;-2.0925,-1.6024,4.1755;-3.0928,.273,3.9065;-4.1011,-.1711,3.9778;-3.1491,1.087,3.156;-2.7157,.857,5.2627;-3.3493,1.7305,5.5261;-1.6792,1.2445,5.2347;-2.8577,-.1197,6.4328;-2.2449,-.566,8.8536;-3.2187,-.9786,9.1829;-1.8455,.0003,9.7199;-1.3266,-1.7663,8.5608;-1.8053,-2.3455,7.7426;-1.2939,-2.4267,9.45;.0912,-1.3778,8.1478;.6365,-.943,9.0182;.0245,-.5751,7.3924;.9167,-2.5242,7.5613;1.9067,-2.1363,7.2412;.4196,-2.8822,6.642;1.1288,-3.7054,8.5085;1.5844,-3.3759,9.4572;.1737,-4.196,8.754;1.7901,-4.4694,8.0619;-3.4225,-1.2221,6.2623;-2.4432,.3808,7.6927;-1.7815,1.2543,7.6605;-6.3228,.6762,5.9045;-5.5898,1.4133,5.5421;-7.2716,.8219,5.3493;-5.9293,-.3274,5.6776;-6.5256,.8505,7.4094;-6.8298,1.8905,7.6191;-7.3588,.198,7.74;-5.288,.5051,8.2401;-4.9158,-.484,7.9171;-5.5797,.4017,9.307;-4.1724,1.5736,8.1648;-4.2688,2.5468,7.396;-3.671,1.7183,9.1588;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724149392815</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008370599740 0.001676369611 0.035671810678 0.008511965618</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044586057 -0.004835872 0.000206530 0.000418627 0.000663620 0.000684160 0.000967752 0.002089691 0.002528689 0.002923465 0.003472471 0.005391249 0.005949966 0.006306642 0.006830031 0.009505706 0.010359907 0.010758127 0.013299784 0.014935422 0.017646277 0.018700746 0.020783742 0.022009208 0.024113967 0.025311399 0.026056138 0.030154516 0.031128238 0.034447969 0.036580435 0.039475916 0.042298335 0.045840514 0.047292152 0.049638016 0.050034528 0.050352901 0.051489702 0.052687612 0.052951524 0.057752604 0.058182053 0.059721235 0.062420316 0.065460054 0.066343491 0.067489626 0.071337181 0.076530988 0.076957343 0.079214219 0.080491576 0.081528115 0.084697364 0.086239487 0.089268294 0.092953238 0.093745004 0.106538583 0.108785939 0.112304991 0.113094414 0.116437880 0.119331832 0.121018664 0.128003260 0.130914479 0.135585249 0.143689966 0.148119080 0.151002915 0.153710020 0.156968057 0.159752516 0.168756437 0.174800140 0.180760849 0.183977730 0.185832058 0.206846669 0.207521191 0.217429375 0.223710368 0.231364941 0.245508473 0.258427566 0.262157826 0.277363401 0.302860934 0.306539954 0.323876246 0.350739764 0.415095974 0.436832348 0.480049068 0.531898892 0.573128878 0.586344918 0.631973408 0.648572509 0.682611411 0.703616843 0.755795826 0.760038641 0.771498524 0.778694646 0.784763073 0.789490431 0.801721090 0.807948264 0.813358467 0.823722322 0.825937394 0.828102844 0.852023831 0.861292445 0.869666839 0.874946267 0.891358382 0.893101172 0.905588853 0.917450767 0.920226318 0.942862049 0.967027801 0.976092660 0.979081781 1.000682418 1.044968239 1.381176361 1.485050376</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">118</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.47278509" y3="-1.39219294" z3="2.06935959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46465495" y3="-1.87904613" z3="2.11597212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.74006036" y3="-2.15520882" z3="1.74781211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.52057277" y3="-0.61657036" z3="1.28064881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10171008" y3="-0.78782713" z3="3.42166818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08896398" y3="-0.3414711" z3="3.36036158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.05684155" y3="-1.58367274" z3="4.18477191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09100389" y3="0.27244627" z3="3.90810915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09328236" y3="-0.18444433" z3="3.98207945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.15858971" y3="1.08462395" z3="3.15656904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71873949" y3="0.86061889" z3="5.26374136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.35672236" y3="1.73104565" z3="5.52698451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.68433196" y3="1.25345504" z3="5.23676676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85914714" y3="-0.11722996" z3="6.43311326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24490504" y3="-0.56434398" z3="8.85423882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.21870842" y3="-0.97521719" z3="9.18826787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84303369" y3="0.00190547" z3="9.71894041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32979881" y3="-1.76545204" z3="8.5601918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.7970292" y3="-2.34010701" z3="7.74666183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29254207" y3="-2.42408864" z3="9.45198846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09156144" y3="-1.37906671" z3="8.14313163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62643146" y3="-0.94582843" z3="9.00750998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0222294" y3="-0.57743816" z3="7.38533895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.91231092" y3="-2.52996672" z3="7.55162204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.89775732" y3="-2.14308015" z3="7.23277147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.40976152" y3="-2.88758781" z3="6.63393761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.12206972" y3="-3.71022014" z3="8.49857111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59286696" y3="-3.3801721" z3="9.44676149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.16320087" y3="-4.19676954" z3="8.75491398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.77794362" y3="-4.47711141" z3="8.04635135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42210536" y3="-1.21963786" z3="6.26079828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44578705" y3="0.38282188" z3="7.69372093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78378786" y3="1.25612494" z3="7.6615228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32700162" y3="0.67708826" z3="5.90327316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.59204723" y3="1.41333569" z3="5.54427716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27353265" y3="0.82171404" z3="5.34962867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92720089" y3="-0.3290277" z3="5.67667672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52953435" y3="0.85105043" z3="7.40814522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.8360918" y3="1.89462872" z3="7.61693202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36140976" y3="0.19777021" z3="7.73694754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29042019" y3="0.50897707" z3="8.24288169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91353857" y3="-0.48021589" z3="7.92005079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58164115" y3="0.40467842" z3="9.30548097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17271209" y3="1.5742939" z3="8.16803132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26912489" y3="2.54685715" z3="7.39864075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67074364" y3="1.72001522" z3="9.1617236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4728,-1.3922,2.0694;-3.4647,-1.879,2.116;-1.7401,-2.1552,1.7478;-2.5206,-.6166,1.2806;-2.1017,-.7878,3.4217;-1.089,-.3415,3.3604;-2.0568,-1.5837,4.1848;-3.091,.2724,3.9081;-4.0933,-.1844,3.9821;-3.1586,1.0846,3.1566;-2.7187,.8606,5.2637;-3.3567,1.731,5.527;-1.6843,1.2535,5.2368;-2.8591,-.1172,6.4331;-2.2449,-.5643,8.8542;-3.2187,-.9752,9.1883;-1.843,.0019,9.7189;-1.3298,-1.7655,8.5602;-1.797,-2.3401,7.7467;-1.2925,-2.4241,9.452;.0916,-1.3791,8.1431;.6264,-.9458,9.0075;.0222,-.5774,7.3853;.9123,-2.53,7.5516;1.8978,-2.1431,7.2328;.4098,-2.8876,6.6339;1.1221,-3.7102,8.4986;1.5929,-3.3802,9.4468;.1632,-4.1968,8.7549;1.7779,-4.4771,8.0464;-3.4221,-1.2196,6.2608;-2.4458,.3828,7.6937;-1.7838,1.2561,7.6615;-6.327,.6771,5.9033;-5.592,1.4133,5.5443;-7.2735,.8217,5.3496;-5.9272,-.329,5.6767;-6.5295,.8511,7.4081;-6.8361,1.8946,7.6169;-7.3614,.1978,7.7369;-5.2904,.509,8.2429;-4.9135,-.4802,7.9201;-5.5816,.4047,9.3055;-4.1727,1.5743,8.168;-4.2691,2.5469,7.3986;-3.6707,1.72,9.1617;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724169221488</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007653070898 0.001350400443 0.037386046004 0.008510933336</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044585694 -0.003415913 0.000167511 0.000403009 0.000665051 0.000672461 0.001024703 0.002086254 0.002526628 0.002924788 0.003503004 0.005390477 0.005951758 0.006367541 0.006841463 0.009505164 0.010357871 0.010774371 0.013338302 0.014939838 0.017650584 0.018774852 0.020819200 0.022330292 0.024122316 0.025356517 0.026061958 0.030158949 0.031152649 0.034535132 0.036579504 0.039479930 0.042308016 0.045905472 0.047297437 0.049687997 0.050078560 0.050360770 0.051489750 0.052712318 0.052992257 0.057774788 0.058180426 0.059720190 0.062506646 0.065460112 0.066352484 0.067522574 0.071428394 0.076530492 0.076997495 0.079204335 0.080670549 0.081554948 0.085650057 0.086900467 0.089283463 0.092951853 0.093751424 0.106559318 0.109371140 0.112503208 0.113097134 0.116442277 0.119345521 0.121109038 0.128341069 0.130918675 0.136129670 0.144103625 0.148113233 0.151193381 0.153709281 0.157109315 0.160176025 0.168773818 0.174849750 0.180843826 0.184005252 0.185867727 0.207107568 0.208727024 0.217430663 0.223824098 0.231406375 0.245521962 0.258422278 0.262167765 0.278258434 0.302918716 0.306547690 0.323908448 0.350753807 0.415122897 0.436836000 0.480100594 0.532203028 0.573332319 0.586352737 0.633876704 0.649212454 0.682798935 0.703634267 0.755996383 0.760397617 0.771708957 0.778789367 0.784786746 0.789496860 0.802276109 0.808236519 0.813639588 0.824810137 0.826584817 0.828345895 0.852028082 0.861487478 0.869667164 0.875257203 0.892786377 0.893557563 0.905703895 0.917515647 0.920225948 0.947420640 0.967185094 0.976658191 0.979264969 1.001194856 1.045864914 1.381183517 1.485078250</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">119</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.47165901" y3="-1.40005217" z3="2.08166864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.45031936" y3="-1.91085137" z3="2.15273647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.7264656" y3="-2.14764261" z3="1.75252637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.55423144" y3="-0.63259283" z3="1.28723346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.0894727" y3="-0.77456273" z3="3.42118318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08542961" y3="-0.31156642" z3="3.33947932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.01945551" y3="-1.56199535" z3="4.19154425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.0891176" y3="0.27400343" z3="3.9111872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08541754" y3="-0.19490558" z3="3.99027639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16927167" y3="1.08502949" z3="3.15962644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71833559" y3="0.86500536" z3="5.26573299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.35877331" y3="1.73374756" z3="5.52820994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.68508728" y3="1.26051691" z3="5.23913089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85654539" y3="-0.1136736" z3="6.43498159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24340229" y3="-0.562818" z3="8.85507151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.21430458" y3="-0.97475894" z3="9.18290845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84252201" y3="0.00007846" z3="9.72090601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32782987" y3="-1.76447691" z3="8.55908827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.80650788" y3="-2.3408558" z3="7.74336805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29326806" y3="-2.42459112" z3="9.44784668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08938106" y3="-1.381795" z3="8.14177908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.63806706" y3="-0.95031789" z3="9.00937472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02168941" y3="-0.57822152" z3="7.38701666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.90815443" y3="-2.53322139" z3="7.54827314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.89462267" y3="-2.14876967" z3="7.22618475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.39710205" y3="-2.88896225" z3="6.62989161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11949798" y3="-3.71491754" z3="8.49467544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58539573" y3="-3.38571704" z3="9.43932832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.16224661" y3="-4.19962482" z3="8.74881842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.77234615" y3="-4.48449105" z3="8.04281696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.41769793" y3="-1.21728972" z3="6.26176957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44340386" y3="0.38546599" z3="7.6955111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78368957" y3="1.26053388" z3="7.66490219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32708705" y3="0.67519863" z3="5.90325112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5937222" y3="1.41163285" z3="5.53831039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2743701" y3="0.81926306" z3="5.3471728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.93389614" y3="-0.32896329" z3="5.67768563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52867185" y3="0.85053888" z3="7.40547228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.83117318" y3="1.89129882" z3="7.61444485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36197634" y3="0.19819555" z3="7.7379237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29156241" y3="0.50803132" z3="8.23825894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91861185" y3="-0.48150963" z3="7.91825784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58331698" y3="0.40890936" z3="9.3039786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17692928" y3="1.57829997" z3="8.16431514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.27218081" y3="2.5505414" z3="7.39495536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67676611" y3="1.72330954" z3="9.15881353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4717,-1.4001,2.0817;-3.4503,-1.9109,2.1527;-1.7265,-2.1476,1.7525;-2.5542,-.6326,1.2872;-2.0895,-.7746,3.4212;-1.0854,-.3116,3.3395;-2.0195,-1.562,4.1915;-3.0891,.274,3.9112;-4.0854,-.1949,3.9903;-3.1693,1.085,3.1596;-2.7183,.865,5.2657;-3.3588,1.7337,5.5282;-1.6851,1.2605,5.2391;-2.8565,-.1137,6.435;-2.2434,-.5628,8.8551;-3.2143,-.9748,9.1829;-1.8425,.0001,9.7209;-1.3278,-1.7645,8.5591;-1.8065,-2.3409,7.7434;-1.2933,-2.4246,9.4478;.0894,-1.3818,8.1418;.6381,-.9503,9.0094;.0217,-.5782,7.387;.9082,-2.5332,7.5483;1.8946,-2.1488,7.2262;.3971,-2.889,6.6299;1.1195,-3.7149,8.4947;1.5854,-3.3857,9.4393;.1622,-4.1996,8.7488;1.7723,-4.4845,8.0428;-3.4177,-1.2173,6.2618;-2.4434,.3855,7.6955;-1.7837,1.2605,7.6649;-6.3271,.6752,5.9033;-5.5937,1.4116,5.5383;-7.2744,.8193,5.3472;-5.9339,-.329,5.6777;-6.5287,.8505,7.4055;-6.8312,1.8913,7.6144;-7.362,.1982,7.7379;-5.2916,.508,8.2383;-4.9186,-.4815,7.9183;-5.5833,.4089,9.304;-4.1769,1.5783,8.1643;-4.2722,2.5505,7.395;-3.6768,1.7233,9.1588;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724160871983</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005730479892 0.001266594308 0.036844433734 0.008512028340</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044582329 -0.003227007 0.000057533 0.000428283 0.000667473 0.000701098 0.001027071 0.002081218 0.002524895 0.002928412 0.003494682 0.005388915 0.005954756 0.006402029 0.006852917 0.009515678 0.010355519 0.010859799 0.013481656 0.014943768 0.017770859 0.018929388 0.020865423 0.022544009 0.024122557 0.025396675 0.026066766 0.030163217 0.031170721 0.034640993 0.036584651 0.039487434 0.042500542 0.045983374 0.047316965 0.049771791 0.050109343 0.050367269 0.051489554 0.052741644 0.053093862 0.057792224 0.058183501 0.059740272 0.062654995 0.065464066 0.066347200 0.067563098 0.071462815 0.076549395 0.077004293 0.079291944 0.080749218 0.081544586 0.085843529 0.087963730 0.089310682 0.092954304 0.093752580 0.106666485 0.109934045 0.112830675 0.113096572 0.116457215 0.119372602 0.121878007 0.128526078 0.130959751 0.136352625 0.144455120 0.148139240 0.151258800 0.153709638 0.157345707 0.160222096 0.168775241 0.175120542 0.180844603 0.184009848 0.185942082 0.207141729 0.209132939 0.217516992 0.223816831 0.231456095 0.245523688 0.258431791 0.262162006 0.279447642 0.302927252 0.306716212 0.323917051 0.350762681 0.415125693 0.436862669 0.480655730 0.532358685 0.573456523 0.586353700 0.634416362 0.649679614 0.682806460 0.703635533 0.756221442 0.761369787 0.772144051 0.778885421 0.784823322 0.789497939 0.802328437 0.808290613 0.813866105 0.825434990 0.827339191 0.829420678 0.852034516 0.861938434 0.869848285 0.875474149 0.892796944 0.894598025 0.905702557 0.918069859 0.920252690 0.949865519 0.967328860 0.976848116 0.979426698 1.001494374 1.046273248 1.381187654 1.485082988</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">120</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.47518285" y3="-1.40544876" z3="2.09115737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44101131" y3="-1.93593426" z3="2.18819623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.72112911" y3="-2.13986506" z3="1.7527867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.59107587" y3="-0.64734081" z3="1.29163735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.07907271" y3="-0.75927446" z3="3.41712427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.08399099" y3="-0.28127251" z3="3.31303899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.98314013" y3="-1.53775196" z3="4.1940846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08723451" y3="0.27817045" z3="3.91312526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07748542" y3="-0.20200699" z3="3.99805754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18040892" y3="1.08856434" z3="3.16258052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71608844" y3="0.87025731" z3="5.2668967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.3574148" y3="1.73793823" z3="5.53031615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.68298239" y3="1.26639504" z3="5.24053144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85384763" y3="-0.1102932" z3="6.43456701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2430815" y3="-0.56320288" z3="8.85390576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22023979" y3="-0.97100843" z3="9.19224297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.83530934" y3="0.00096898" z3="9.719747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33303478" y3="-1.7684374" z3="8.55385128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.80789385" y3="-2.33889674" z3="7.73801841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29746043" y3="-2.43086363" z3="9.44167123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08714055" y3="-1.38623517" z3="8.13669554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62791961" y3="-0.95548838" z3="9.00225628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02091216" y3="-0.58298324" z3="7.38135212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.90337796" y3="-2.53740905" z3="7.54793732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.8924784" y3="-2.15476763" z3="7.22295088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.40607635" y3="-2.8947567" z3="6.63352666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11462622" y3="-3.71878443" z3="8.4941389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59280437" y3="-3.39160884" z3="9.44093554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.15585988" y3="-4.20152897" z3="8.75400957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.76622206" y3="-4.48672643" z3="8.04009446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.41379217" y3="-1.21427102" z3="6.25914044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44165207" y3="0.38677576" z3="7.6959043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78316234" y3="1.26275515" z3="7.66812525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32739858" y3="0.66997562" z3="5.89824234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.59336784" y3="1.40520775" z3="5.53680654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27284352" y3="0.80965891" z3="5.34260036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92534244" y3="-0.33875262" z3="5.67794371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.53095727" y3="0.85159994" z3="7.40277926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.83528697" y3="1.89627759" z3="7.60685507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36308614" y3="0.20016389" z3="7.73487596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29392003" y3="0.51179622" z3="8.24044427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9159559" y3="-0.47928251" z3="7.9243285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58875165" y3="0.41481603" z3="9.30230764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17809985" y3="1.57865245" z3="8.16573714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.27390146" y3="2.54997263" z3="7.39504806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67678338" y3="1.72470202" z3="9.15931536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4752,-1.4054,2.0912;-3.441,-1.9359,2.1882;-1.7211,-2.1399,1.7528;-2.5911,-.6473,1.2916;-2.0791,-.7593,3.4171;-1.084,-.2813,3.313;-1.9831,-1.5378,4.1941;-3.0872,.2782,3.9131;-4.0775,-.202,3.9981;-3.1804,1.0886,3.1626;-2.7161,.8703,5.2669;-3.3574,1.7379,5.5303;-1.683,1.2664,5.2405;-2.8538,-.1103,6.4346;-2.2431,-.5632,8.8539;-3.2202,-.971,9.1922;-1.8353,.001,9.7197;-1.333,-1.7684,8.5539;-1.8079,-2.3389,7.738;-1.2975,-2.4309,9.4417;.0871,-1.3862,8.1367;.6279,-.9555,9.0023;.0209,-.583,7.3814;.9034,-2.5374,7.5479;1.8925,-2.1548,7.223;.4061,-2.8948,6.6335;1.1146,-3.7188,8.4941;1.5928,-3.3916,9.4409;.1559,-4.2015,8.754;1.7662,-4.4867,8.0401;-3.4138,-1.2143,6.2591;-2.4417,.3868,7.6959;-1.7832,1.2628,7.6681;-6.3274,.67,5.8982;-5.5934,1.4052,5.5368;-7.2728,.8097,5.3426;-5.9253,-.3388,5.6779;-6.531,.8516,7.4028;-6.8353,1.8963,7.6069;-7.3631,.2002,7.7349;-5.2939,.5118,8.2404;-4.916,-.4793,7.9243;-5.5888,.4148,9.3023;-4.1781,1.5787,8.1657;-4.2739,2.55,7.395;-3.6768,1.7247,9.1593;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724114849953</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007515778940 0.001591820971 0.041292040778 0.008512693527</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044641698 -0.005372338 0.000024700 0.000446002 0.000671680 0.000699848 0.001029469 0.002078794 0.002525125 0.002927685 0.003654452 0.005392419 0.005964710 0.006413049 0.006880458 0.009541296 0.010356000 0.010932720 0.013722660 0.014965196 0.018000701 0.019203622 0.020884551 0.022614229 0.024123580 0.025442044 0.026075167 0.030179286 0.031214752 0.034751303 0.036614809 0.039509814 0.043074682 0.046029918 0.047353146 0.049848373 0.050120309 0.050367370 0.051523269 0.052758154 0.053183471 0.057847443 0.058205072 0.059849032 0.062878392 0.065475154 0.066361944 0.067597983 0.071498206 0.076568421 0.077100359 0.079428169 0.080764001 0.081543916 0.085891341 0.088602273 0.089332728 0.092953964 0.093768985 0.106842529 0.110149199 0.113089946 0.113562959 0.116518716 0.119393732 0.124503758 0.128717365 0.131149063 0.136544425 0.144463966 0.148212587 0.151258084 0.153710088 0.157603862 0.160244048 0.168815604 0.176122647 0.180838603 0.184089400 0.185956984 0.207139298 0.209180232 0.217490403 0.224035431 0.231753627 0.245717847 0.258426510 0.262226717 0.281053312 0.303081467 0.307012358 0.323915770 0.350873039 0.415466954 0.436895139 0.481804128 0.532697484 0.573455119 0.586380664 0.634416566 0.650198319 0.683059613 0.703666477 0.756324491 0.762069487 0.772646689 0.778954972 0.784823863 0.789521644 0.803009422 0.809632048 0.814075393 0.825503320 0.827597416 0.832431597 0.852037717 0.862833492 0.870041050 0.875658392 0.892920035 0.894676275 0.905714740 0.919425074 0.920305703 0.950958659 0.967335883 0.977028412 0.979466181 1.002114244 1.046865785 1.381217655 1.485095213</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">121</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.48506944" y3="-1.40906995" z3="2.09835731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.43856682" y3="-1.95620493" z3="2.22151423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.7250519" y3="-2.13250073" z3="1.74985952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.63236791" y3="-0.66072899" z3="1.29481213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.07290301" y3="-0.74375075" z3="3.41005675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.0868653" y3="-0.25243971" z3="3.28244581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.95115756" y3="-1.51361084" z3="4.19221561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08713017" y3="0.28355811" z3="3.91481425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07216241" y3="-0.20589651" z3="4.00515189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19252597" y3="1.09431117" z3="3.16631632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71366358" y3="0.87465936" z3="5.26848074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.35424345" y3="1.74224118" z3="5.53385505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.68031918" y3="1.27036583" z3="5.24136631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8513095" y3="-0.1083792" z3="6.43475125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24404372" y3="-0.56544221" z3="8.85563711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.21495322" y3="-0.97674033" z3="9.18112365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84439553" y3="-0.00717461" z3="9.72264104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33289208" y3="-1.76814069" z3="8.55645496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.81044545" y3="-2.33940676" z3="7.73948706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.29993652" y3="-2.43138047" z3="9.44457358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08891758" y3="-1.38804158" z3="8.13687091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.63168245" y3="-0.95288539" z3="9.00145302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02211135" y3="-0.58888884" z3="7.37616242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.90788598" y3="-2.54328806" z3="7.54660717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.89039051" y3="-2.15820515" z3="7.22659499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.39027125" y3="-2.90279632" z3="6.62774449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11698219" y3="-3.71958804" z3="8.49911378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58317161" y3="-3.38617097" z3="9.43993642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.15772138" y3="-4.20139894" z3="8.76011454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.76649647" y3="-4.49342983" z3="8.0479108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40862731" y3="-1.21289236" z3="6.25507084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.44172188" y3="0.38680621" z3="7.69830782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78355477" y3="1.26310654" z3="7.6722085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31787963" y3="0.66417845" z3="5.89626468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.58286927" y3="1.39713009" z3="5.52898878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26354149" y3="0.80347102" z3="5.33391831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92299358" y3="-0.33841447" z3="5.67828517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52804644" y3="0.84998611" z3="7.39706455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.83246841" y3="1.89129029" z3="7.59915028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36482079" y3="0.20253574" z3="7.72766469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29440626" y3="0.51175028" z3="8.23828629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91681558" y3="-0.47891118" z3="7.92731435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.59689597" y3="0.42142934" z3="9.30311319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17763333" y3="1.57791629" z3="8.16676812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.27037105" y3="2.54974823" z3="7.39755993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67695111" y3="1.7217498" z3="9.16149967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4851,-1.4091,2.0984;-3.4386,-1.9562,2.2215;-1.7251,-2.1325,1.7499;-2.6324,-.6607,1.2948;-2.0729,-.7438,3.4101;-1.0869,-.2524,3.2824;-1.9512,-1.5136,4.1922;-3.0871,.2836,3.9148;-4.0722,-.2059,4.0052;-3.1925,1.0943,3.1663;-2.7137,.8747,5.2685;-3.3542,1.7422,5.5339;-1.6803,1.2704,5.2414;-2.8513,-.1084,6.4348;-2.244,-.5654,8.8556;-3.215,-.9767,9.1811;-1.8444,-.0072,9.7226;-1.3329,-1.7681,8.5565;-1.8104,-2.3394,7.7395;-1.2999,-2.4314,9.4446;.0889,-1.388,8.1369;.6317,-.9529,9.0015;.0221,-.5889,7.3762;.9079,-2.5433,7.5466;1.8904,-2.1582,7.2266;.3903,-2.9028,6.6277;1.117,-3.7196,8.4991;1.5832,-3.3862,9.4399;.1577,-4.2014,8.7601;1.7665,-4.4934,8.0479;-3.4086,-1.2129,6.2551;-2.4417,.3868,7.6983;-1.7836,1.2631,7.6722;-6.3179,.6642,5.8963;-5.5829,1.3971,5.529;-7.2635,.8035,5.3339;-5.923,-.3384,5.6783;-6.528,.85,7.3971;-6.8325,1.8913,7.5992;-7.3648,.2025,7.7277;-5.2944,.5118,8.2383;-4.9168,-.4789,7.9273;-5.5969,.4214,9.3031;-4.1776,1.5779,8.1668;-4.2704,2.5497,7.3976;-3.677,1.7217,9.1615;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724044902879</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011175322318 0.002040348650 0.041720730735 0.008512424277</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044765740 -0.007034425 0.000047797 0.000446542 0.000674182 0.000725117 0.001043941 0.002089839 0.002540490 0.002927477 0.003724979 0.005412092 0.005969310 0.006485701 0.006878803 0.009545370 0.010364212 0.010930858 0.013797680 0.014971009 0.018066177 0.019289830 0.020883182 0.022620463 0.024128041 0.025488604 0.026177474 0.030214503 0.031314315 0.034768348 0.036648149 0.039520544 0.043585673 0.046021434 0.047383183 0.049839688 0.050351518 0.050414861 0.051648116 0.052791956 0.053204965 0.057978772 0.058205910 0.060050958 0.063121647 0.065491751 0.066346781 0.067612132 0.071493766 0.076591034 0.077149275 0.079475513 0.080774657 0.081539401 0.085902004 0.088746131 0.089330565 0.092958038 0.093797594 0.107045594 0.110148339 0.113091918 0.114049334 0.116539357 0.119425076 0.128042379 0.129409050 0.132112761 0.137632020 0.144469838 0.148207722 0.151477853 0.153713494 0.157779182 0.160836626 0.168907717 0.177558024 0.180856760 0.184118696 0.186070043 0.207212428 0.209207984 0.217521078 0.224643040 0.232739470 0.246196434 0.258492494 0.262209577 0.282941384 0.303256490 0.307952249 0.323916370 0.350863614 0.416279315 0.436929423 0.483746103 0.532708198 0.573562604 0.586404762 0.634715893 0.650362661 0.683932573 0.703880185 0.756343298 0.762564375 0.773002691 0.779824195 0.784823733 0.789520617 0.803689308 0.813508677 0.814515692 0.825715727 0.827660041 0.838731088 0.852064936 0.864200076 0.870310776 0.875894682 0.893002644 0.894674962 0.905762076 0.920081558 0.921380561 0.951676273 0.967345954 0.977254986 0.979466621 1.003215233 1.048150268 1.381266100 1.485140868</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">122</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.49861787" y3="-1.40949491" z3="2.10434766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44055935" y3="-1.96975743" z3="2.25190746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.73508788" y3="-2.12394081" z3="1.74539628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67408864" y3="-0.67017448" z3="1.29883976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.07036354" y3="-0.72786358" z3="3.40221761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.09287772" y3="-0.22622947" z3="3.25262156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.92523129" y3="-1.48991802" z3="4.18771171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.08785319" y3="0.29147382" z3="3.91647985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06864331" y3="-0.2050573" z3="4.01248788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20383591" y3="1.1033095" z3="3.17090299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.71003602" y3="0.88012211" z3="5.26982679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.34849126" y3="1.74841953" z3="5.53756609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.67584208" y3="1.27341611" z3="5.24193206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84748148" y3="-0.10586253" z3="6.43381783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24448996" y3="-0.5698631" z3="8.85169857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22082921" y3="-0.97974131" z3="9.18031908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84044056" y3="-0.01153935" z3="9.7226453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33394034" y3="-1.77302133" z3="8.55231272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.80975969" y3="-2.34418197" z3="7.73537652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30171606" y3="-2.43506454" z3="9.4413606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08342557" y3="-1.39071532" z3="8.1371282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.628125" y3="-0.95582588" z3="9.00324116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.01850521" y3="-0.59083442" z3="7.37841918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.8996057" y3="-2.54580391" z3="7.55244152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.892474" y3="-2.16654862" z3="7.22361102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.40247768" y3="-2.908112" z3="6.6395454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11147341" y3="-3.72226259" z3="8.50508724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58833136" y3="-3.38789149" z3="9.45027501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.15655701" y3="-4.20562953" z3="8.76339854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.76423777" y3="-4.49207574" z3="8.05803581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40518446" y3="-1.21020632" z3="6.25195693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43683166" y3="0.38455292" z3="7.6969399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.78112582" y3="1.26273756" z3="7.67637094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31354167" y3="0.65636122" z3="5.88975906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57749817" y3="1.38776576" z3="5.52252478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25513344" y3="0.79132811" z3="5.32869461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9098485" y3="-0.35596581" z3="5.6817596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.52454439" y3="0.84823886" z3="7.38896897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82712179" y3="1.8956517" z3="7.58283847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36046624" y3="0.20138878" z3="7.72350555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2947454" y3="0.51330884" z3="8.2378937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91609175" y3="-0.48123811" z3="7.93398669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.5948833" y3="0.42694001" z3="9.29741057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1808771" y3="1.58295221" z3="8.16638644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.27285428" y3="2.55538193" z3="7.39817768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67824818" y3="1.72192711" z3="9.15976296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.4986,-1.4095,2.1043;-3.4406,-1.9698,2.2519;-1.7351,-2.1239,1.7454;-2.6741,-.6702,1.2988;-2.0704,-.7279,3.4022;-1.0929,-.2262,3.2526;-1.9252,-1.4899,4.1877;-3.0879,.2915,3.9165;-4.0686,-.2051,4.0125;-3.2038,1.1033,3.1709;-2.71,.8801,5.2698;-3.3485,1.7484,5.5376;-1.6758,1.2734,5.2419;-2.8475,-.1059,6.4338;-2.2445,-.5699,8.8517;-3.2208,-.9797,9.1803;-1.8404,-.0115,9.7226;-1.3339,-1.773,8.5523;-1.8098,-2.3442,7.7354;-1.3017,-2.4351,9.4414;.0834,-1.3907,8.1371;.6281,-.9558,9.0032;.0185,-.5908,7.3784;.8996,-2.5458,7.5524;1.8925,-2.1665,7.2236;.4025,-2.9081,6.6395;1.1115,-3.7223,8.5051;1.5883,-3.3879,9.4503;.1566,-4.2056,8.7634;1.7642,-4.4921,8.058;-3.4052,-1.2102,6.252;-2.4368,.3846,7.6969;-1.7811,1.2627,7.6764;-6.3135,.6564,5.8898;-5.5775,1.3878,5.5225;-7.2551,.7913,5.3287;-5.9098,-.356,5.6818;-6.5245,.8482,7.389;-6.8271,1.8957,7.5828;-7.3605,.2014,7.7235;-5.2947,.5133,8.2379;-4.9161,-.4812,7.934;-5.5949,.4269,9.2974;-4.1809,1.583,8.1664;-4.2729,2.5554,7.3982;-3.6782,1.7219,9.1598;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724031677865</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010473580883 0.002034808745 0.041694622712 0.008513079952</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045082517 -0.006447292 0.000086311 0.000469289 0.000674348 0.000733279 0.001056344 0.002086507 0.002539450 0.002928385 0.003743603 0.005411102 0.005970179 0.006555019 0.006880428 0.009557258 0.010366161 0.010934748 0.013811613 0.014976898 0.018072883 0.019290444 0.020882815 0.022817582 0.024151079 0.025483702 0.026248079 0.030240739 0.031382093 0.034778589 0.036663360 0.039520028 0.043665415 0.046029185 0.047380504 0.049886443 0.050345971 0.050749099 0.051795363 0.052866806 0.053213228 0.058004525 0.058268735 0.060075922 0.063249054 0.065504377 0.066344176 0.067615983 0.071528602 0.076588284 0.077160463 0.079476364 0.080812279 0.081539925 0.085916435 0.088734539 0.089363546 0.092989446 0.093805270 0.107195339 0.110185233 0.113088213 0.114149872 0.116566285 0.119451911 0.128559882 0.130485209 0.133535826 0.140807939 0.144587082 0.148228037 0.151873959 0.153728079 0.157830621 0.161279783 0.168917607 0.178448027 0.180865007 0.184186569 0.186068824 0.207623398 0.209638318 0.217486255 0.225304430 0.233710060 0.246589926 0.258663568 0.262207666 0.284661178 0.303706090 0.308500689 0.324041196 0.350953669 0.417139511 0.436951327 0.484089507 0.532727607 0.573745933 0.586453298 0.635611044 0.650370790 0.684189727 0.704154298 0.756343168 0.762603377 0.773054598 0.780989914 0.784870146 0.789521960 0.803805824 0.814051803 0.818404429 0.825769369 0.827662468 0.846353126 0.852081578 0.866716243 0.870632692 0.876687841 0.893002341 0.895178352 0.905835236 0.920132299 0.922117967 0.952243521 0.967641570 0.977426689 0.979473852 1.005758329 1.051504815 1.381266948 1.485143430</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">123</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.51690599" y3="-1.40790873" z3="2.10595407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.44926743" y3="-1.97773119" z3="2.27426257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.75209706" y3="-2.1159084" z3="1.73712338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.71578327" y3="-0.67564846" z3="1.29980446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.07347469" y3="-0.7144123" z3="3.39210064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.10280976" y3="-0.20606648" z3="3.2242569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90912342" y3="-1.47107725" z3="4.17844883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09091476" y3="0.29959809" z3="3.9166848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.06949462" y3="-0.19990336" z3="4.01648658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21395702" y3="1.11374407" z3="3.17499299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70696853" y3="0.88351155" z3="5.27035895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.34127439" y3="1.75340122" z3="5.54266849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.67124921" y3="1.27293004" z3="5.24050335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8445192" y3="-0.10483439" z3="6.43274164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24564742" y3="-0.57059091" z3="8.85269038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22389571" y3="-0.9788766" z3="9.18034307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.84361728" y3="-0.01461714" z3="9.72368421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33710564" y3="-1.77715367" z3="8.54942582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.81188181" y3="-2.34241666" z3="7.72831364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30700801" y3="-2.44483853" z3="9.43212334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08581365" y3="-1.39723478" z3="8.1388706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62054187" y3="-0.96240344" z3="9.0058127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0190975" y3="-0.59562981" z3="7.38107613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.90968576" y3="-2.54956415" z3="7.55819737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.89157396" y3="-2.16304074" z3="7.24025553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.40389259" y3="-2.91390993" z3="6.6405739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11927006" y3="-3.72170503" z3="8.516074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58470847" y3="-3.38374609" z3="9.45763477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.15574284" y3="-4.20096795" z3="8.78042203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.77086602" y3="-4.49768439" z3="8.06988243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.39870871" y3="-1.21060213" z3="6.24919439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43729404" y3="0.38641948" z3="7.69862691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77881937" y3="1.26259202" z3="7.67825935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29961044" y3="0.64429636" z3="5.88416388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56417055" y3="1.37518348" z3="5.51508973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2418985" y3="0.7769013" z3="5.31498632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90138682" y3="-0.35997875" z3="5.6800696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51914669" y3="0.84765183" z3="7.38329369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.82041058" y3="1.89105052" z3="7.57228409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35693893" y3="0.2033283" z3="7.71337825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29302765" y3="0.5143734" z3="8.23692853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91286076" y3="-0.47874891" z3="7.93854004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.60702142" y3="0.43349497" z3="9.299324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17473325" y3="1.57771581" z3="8.16799302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26771808" y3="2.55202067" z3="7.40083859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67442051" y3="1.71944327" z3="9.1631503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5169,-1.4079,2.106;-3.4493,-1.9777,2.2743;-1.7521,-2.1159,1.7371;-2.7158,-.6756,1.2998;-2.0735,-.7144,3.3921;-1.1028,-.2061,3.2243;-1.9091,-1.4711,4.1784;-3.0909,.2996,3.9167;-4.0695,-.1999,4.0165;-3.214,1.1137,3.175;-2.707,.8835,5.2704;-3.3413,1.7534,5.5427;-1.6712,1.2729,5.2405;-2.8445,-.1048,6.4327;-2.2456,-.5706,8.8527;-3.2239,-.9789,9.1803;-1.8436,-.0146,9.7237;-1.3371,-1.7772,8.5494;-1.8119,-2.3424,7.7283;-1.307,-2.4448,9.4321;.0858,-1.3972,8.1389;.6205,-.9624,9.0058;.0191,-.5956,7.3811;.9097,-2.5496,7.5582;1.8916,-2.163,7.2403;.4039,-2.9139,6.6406;1.1193,-3.7217,8.5161;1.5847,-3.3837,9.4576;.1557,-4.201,8.7804;1.7709,-4.4977,8.0699;-3.3987,-1.2106,6.2492;-2.4373,.3864,7.6986;-1.7788,1.2626,7.6783;-6.2996,.6443,5.8842;-5.5642,1.3752,5.5151;-7.2419,.7769,5.315;-5.9014,-.36,5.6801;-6.5191,.8477,7.3833;-6.8204,1.8911,7.5723;-7.3569,.2033,7.7134;-5.293,.5144,8.2369;-4.9129,-.4787,7.9385;-5.607,.4335,9.2993;-4.1747,1.5777,8.168;-4.2677,2.552,7.4008;-3.6744,1.7194,9.1632;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724028879015</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008451875616 0.001778872697 0.035000265540 0.008513260908</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045322105 -0.005574463 0.000148885 0.000454900 0.000678058 0.000743964 0.001059711 0.002096088 0.002538463 0.002929771 0.003923168 0.005413918 0.005995876 0.006547396 0.006882076 0.009612087 0.010426674 0.010930683 0.013902199 0.015072702 0.018226839 0.019469019 0.020884565 0.023146066 0.024218905 0.025533962 0.026254967 0.030242448 0.031376977 0.034877464 0.036680225 0.039519912 0.043660947 0.046027326 0.047421959 0.049944517 0.050343982 0.050877146 0.051809955 0.052935942 0.053217205 0.058010566 0.058469592 0.060119368 0.063261034 0.065679700 0.066344906 0.067616390 0.071602372 0.076588827 0.077164661 0.079479951 0.080898648 0.081549828 0.085939293 0.088927817 0.089432503 0.093056347 0.093805532 0.107337438 0.110226455 0.113086308 0.114140137 0.116769373 0.119509397 0.128613409 0.130765467 0.134043903 0.143997035 0.145197308 0.148558192 0.152167656 0.153741016 0.157892072 0.161472236 0.168925941 0.178525557 0.180939729 0.184183665 0.186084178 0.207914957 0.210493609 0.217462683 0.225681604 0.234479993 0.246710658 0.258814339 0.262215957 0.285470449 0.304223514 0.308966200 0.324307649 0.351508895 0.417177604 0.437020952 0.484139682 0.533044716 0.573910649 0.586453136 0.636064974 0.650863883 0.684263051 0.704462396 0.756367288 0.762689301 0.773081674 0.782016636 0.784934281 0.789521466 0.803810400 0.814141548 0.820436120 0.825918279 0.827667899 0.850509319 0.852533112 0.869156609 0.870888843 0.878569025 0.893122722 0.896504270 0.905849087 0.920133535 0.922114952 0.952507530 0.967635912 0.977586847 0.979481578 1.008519559 1.055667292 1.381304971 1.485207101</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">124</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.53810692" y3="-1.40089228" z3="2.10119904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.46484878" y3="-1.97456667" z3="2.28205568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.77505948" y3="-2.10567225" z3="1.72315583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.75078353" y3="-0.67114138" z3="1.29733289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.08187257" y3="-0.70447848" z3="3.38079632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.11485883" y3="-0.19420738" z3="3.20112199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90601961" y3="-1.46001318" z3="4.16497527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.09532734" y3="0.3077098" z3="3.91633069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.07379823" y3="-0.19129642" z3="4.0186991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22159353" y3="1.12529918" z3="3.17899762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70409253" y3="0.88551502" z3="5.27100261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.33306101" y3="1.75823591" z3="5.54714294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66628789" y3="1.26933513" z3="5.23913689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84422245" y3="-0.10487776" z3="6.43169189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24805306" y3="-0.57645064" z3="8.85127372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22284388" y3="-0.98820193" z3="9.16768557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.85177726" y3="-0.02284418" z3="9.72561104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33735129" y3="-1.77890889" z3="8.5521265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.81048218" y3="-2.34552839" z3="7.72930359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30993882" y3="-2.4460117" z3="9.43804769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08562742" y3="-1.39649322" z3="8.1437521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.62189321" y3="-0.95568281" z3="9.01175101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0260768" y3="-0.60161536" z3="7.37955123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.91066128" y3="-2.55317038" z3="7.56976249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.90124286" y3="-2.16975163" z3="7.24785832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.41251787" y3="-2.92271751" z3="6.65356588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.11943344" y3="-3.72251037" z3="8.53141542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58533369" y3="-3.3809613" z3="9.47764177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.16774993" y3="-4.21019067" z3="8.78327851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.77977775" y3="-4.49083139" z3="8.09379292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40112805" y3="-1.2082748" z3="6.24545365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43593969" y3="0.38200323" z3="7.69792043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77679845" y3="1.25798171" z3="7.6796199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29001084" y3="0.63771205" z3="5.87788446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55194702" y3="1.36551257" z3="5.50775981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.22885414" y3="0.76583917" z3="5.30729479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.88342174" y3="-0.37473061" z3="5.6829685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51386444" y3="0.84433239" z3="7.37323461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.81752528" y3="1.89512449" z3="7.55431901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3571216" y3="0.20486778" z3="7.70658439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.29262604" y3="0.51536262" z3="8.23676149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91046729" y3="-0.48190542" z3="7.94516576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.60548775" y3="0.43826816" z3="9.29479096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.17421553" y3="1.58038944" z3="8.16955846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26285907" y3="2.55502392" z3="7.40460303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.67163694" y3="1.71587062" z3="9.16391245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5381,-1.4009,2.1012;-3.4648,-1.9746,2.2821;-1.7751,-2.1057,1.7232;-2.7508,-.6711,1.2973;-2.0819,-.7045,3.3808;-1.1149,-.1942,3.2011;-1.906,-1.46,4.165;-3.0953,.3077,3.9163;-4.0738,-.1913,4.0187;-3.2216,1.1253,3.179;-2.7041,.8855,5.271;-3.3331,1.7582,5.5471;-1.6663,1.2693,5.2391;-2.8442,-.1049,6.4317;-2.2481,-.5765,8.8513;-3.2228,-.9882,9.1677;-1.8518,-.0228,9.7256;-1.3374,-1.7789,8.5521;-1.8105,-2.3455,7.7293;-1.3099,-2.446,9.438;.0856,-1.3965,8.1438;.6219,-.9557,9.0118;.0261,-.6016,7.3796;.9107,-2.5532,7.5698;1.9012,-2.1698,7.2479;.4125,-2.9227,6.6536;1.1194,-3.7225,8.5314;1.5853,-3.381,9.4776;.1677,-4.2102,8.7833;1.7798,-4.4908,8.0938;-3.4011,-1.2083,6.2455;-2.4359,.382,7.6979;-1.7768,1.258,7.6796;-6.29,.6377,5.8779;-5.5519,1.3655,5.5078;-7.2289,.7658,5.3073;-5.8834,-.3747,5.683;-6.5139,.8443,7.3732;-6.8175,1.8951,7.5543;-7.3571,.2049,7.7066;-5.2926,.5154,8.2368;-4.9105,-.4819,7.9452;-5.6055,.4383,9.2948;-4.1742,1.5804,8.1696;-4.2629,2.555,7.4046;-3.6716,1.7159,9.1639;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724041162459</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007368798844 0.001544000943 0.027148434330 0.008511765157</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045427453 -0.004407483 0.000242164 0.000398081 0.000692097 0.000742241 0.001070251 0.002093453 0.002545612 0.002929594 0.003939770 0.005415236 0.005999152 0.006547078 0.006890904 0.009699750 0.010438473 0.010982110 0.013906815 0.015164189 0.018354374 0.019536592 0.020894502 0.023352852 0.024330592 0.025772369 0.026289723 0.030247759 0.031440725 0.035057732 0.036699565 0.039519974 0.043672793 0.046066447 0.047446241 0.049937336 0.050343559 0.050877697 0.051838133 0.052942896 0.053219365 0.058049345 0.058621792 0.060319330 0.063262723 0.065915571 0.066381177 0.067683968 0.071621859 0.076590204 0.077164446 0.079477643 0.080905365 0.081556401 0.085931958 0.089239700 0.089913611 0.093088683 0.093812328 0.107486365 0.110251715 0.113086171 0.114138758 0.117112543 0.119624059 0.128633533 0.130907543 0.134114990 0.144388495 0.146980994 0.150214714 0.152362713 0.153760991 0.157928793 0.161507938 0.169137837 0.178531005 0.180942627 0.184202535 0.186115387 0.208051446 0.211000144 0.217466438 0.225758674 0.234804455 0.246709317 0.258797597 0.262270404 0.286065224 0.304517334 0.309196422 0.324532463 0.351855718 0.417298672 0.437160799 0.484867579 0.533328999 0.573926302 0.586463534 0.636155891 0.651590092 0.684907944 0.704831096 0.756425126 0.763162212 0.773120655 0.782537826 0.784990656 0.789543351 0.803826715 0.814146068 0.821042319 0.825956997 0.827766947 0.851087670 0.852956353 0.870318209 0.871103365 0.881635093 0.893209948 0.898084296 0.906087432 0.920158876 0.922638202 0.952516115 0.967655463 0.977609446 0.979478857 1.010957635 1.059229963 1.381442017 1.485428784</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">125</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.56034456" y3="-1.3904969" z3="2.09093658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.48820678" y3="-1.96110304" z3="2.27371894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.80220791" y3="-2.09674584" z3="1.70576996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77403576" y3="-0.65637498" z3="1.29195679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.09541037" y3="-0.70189005" z3="3.37119308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.1267763" y3="-0.19618686" z3="3.18968754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.92069073" y3="-1.46104108" z3="4.15186994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10115802" y3="0.31389486" z3="3.91454186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.08188997" y3="-0.18055625" z3="4.01885471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22617905" y3="1.13508009" z3="3.18091219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.70169981" y3="0.88517275" z3="5.26938148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.32455342" y3="1.76083215" z3="5.55005967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.66154354" y3="1.26251057" z3="5.23561025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84304797" y3="-0.10726065" z3="6.42775172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2475775" y3="-0.58189429" z3="8.84600576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22749132" y3="-0.99373959" z3="9.16679553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.85296651" y3="-0.02755115" z3="9.72240117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33417662" y3="-1.78380488" z3="8.54911462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.79916825" y3="-2.3508793" z3="7.72454435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31182765" y3="-2.4503093" z3="9.43473422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.08891449" y3="-1.39900164" z3="8.15190944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61475021" y3="-0.95676095" z3="9.02258344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.02936208" y3="-0.60272995" z3="7.3878161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.92159096" y3="-2.55280357" z3="7.58448223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.91024369" y3="-2.16686038" z3="7.27026283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.43245556" y3="-2.92429784" z3="6.66606864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.12969761" y3="-3.72058954" z3="8.54845283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58276666" y3="-3.37509785" z3="9.49409541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.16585337" y3="-4.20549794" z3="8.80495555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.79220426" y3="-4.49367234" z3="8.11354432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4009929" y3="-1.21031087" z3="6.24098844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43433216" y3="0.37822141" z3="7.69468687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77402057" y3="1.25306966" z3="7.6783293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28005061" y3="0.63109009" z3="5.87404388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54137124" y3="1.35806887" z3="5.50323052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21738029" y3="0.76085754" z3="5.30084441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.87870861" y3="-0.37503248" z3="5.68015818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50834553" y3="0.844602" z3="7.36966403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80699342" y3="1.89014691" z3="7.54951389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.34876574" y3="0.20361882" z3="7.69855984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2896409" y3="0.5141608" z3="8.23460424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91314094" y3="-0.48152131" z3="7.94494268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.60779063" y3="0.43927905" z3="9.29426921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16971628" y3="1.57713828" z3="8.16753784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.26017505" y3="2.55428159" z3="7.40346898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66943082" y3="1.71244159" z3="9.1630348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5603,-1.3905,2.0909;-3.4882,-1.9611,2.2737;-1.8022,-2.0967,1.7058;-2.774,-.6564,1.292;-2.0954,-.7019,3.3712;-1.1268,-.1962,3.1897;-1.9207,-1.461,4.1519;-3.1012,.3139,3.9145;-4.0819,-.1806,4.0189;-3.2262,1.1351,3.1809;-2.7017,.8852,5.2694;-3.3246,1.7608,5.5501;-1.6615,1.2625,5.2356;-2.843,-.1073,6.4278;-2.2476,-.5819,8.846;-3.2275,-.9937,9.1668;-1.853,-.0276,9.7224;-1.3342,-1.7838,8.5491;-1.7992,-2.3509,7.7245;-1.3118,-2.4503,9.4347;.0889,-1.399,8.1519;.6148,-.9568,9.0226;.0294,-.6027,7.3878;.9216,-2.5528,7.5845;1.9102,-2.1669,7.2703;.4325,-2.9243,6.6661;1.1297,-3.7206,8.5485;1.5828,-3.3751,9.4941;.1659,-4.2055,8.805;1.7922,-4.4937,8.1135;-3.401,-1.2103,6.241;-2.4343,.3782,7.6947;-1.774,1.2531,7.6783;-6.2801,.6311,5.874;-5.5414,1.3581,5.5032;-7.2174,.7609,5.3008;-5.8787,-.375,5.6802;-6.5083,.8446,7.3697;-6.807,1.8901,7.5495;-7.3488,.2036,7.6986;-5.2896,.5142,8.2346;-4.9131,-.4815,7.9449;-5.6078,.4393,9.2943;-4.1697,1.5771,8.1675;-4.2602,2.5543,7.4035;-3.6694,1.7124,9.163;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724071382866</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006192612857 0.001387038776 0.026007703199 0.008512160735</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045514719 -0.004231644 0.000179903 0.000448824 0.000687355 0.000783310 0.001069381 0.002108031 0.002543615 0.002928484 0.003971657 0.005432156 0.005998993 0.006548569 0.006891560 0.009757078 0.010457720 0.011033683 0.013930652 0.015159455 0.018386545 0.019536077 0.020934752 0.023361463 0.024485319 0.025940935 0.026428771 0.030270598 0.031539025 0.035099088 0.036730593 0.039520850 0.043674170 0.046118580 0.047441444 0.049991221 0.050355324 0.050904052 0.051973956 0.052951711 0.053219849 0.058077649 0.058645433 0.060489608 0.063295584 0.065939932 0.066388147 0.067824573 0.071619783 0.076601610 0.077169146 0.079490713 0.080910038 0.081562349 0.085955317 0.089292011 0.091156206 0.093090454 0.093864694 0.107727210 0.110264095 0.113087593 0.114155689 0.117512415 0.119780482 0.128646926 0.130970831 0.134138995 0.144388000 0.147488633 0.151993976 0.153498326 0.153845943 0.157924039 0.161506721 0.169667632 0.178595540 0.180943290 0.184233968 0.186359263 0.208194928 0.211007745 0.217506274 0.225756564 0.234827465 0.246753633 0.258828058 0.262277750 0.286365908 0.304690236 0.309434310 0.324580545 0.351839637 0.417764909 0.437376135 0.485675227 0.533393475 0.573925836 0.586557727 0.636158202 0.651909943 0.685345877 0.705039341 0.756462133 0.764110597 0.773165637 0.782752170 0.785065749 0.789542856 0.803843824 0.814148646 0.821095352 0.825960916 0.828098975 0.851107571 0.852980017 0.870777333 0.871505508 0.882754374 0.893215147 0.898800123 0.907520154 0.920184458 0.924889565 0.952605061 0.968411692 0.977615688 0.979496210 1.012527267 1.061169693 1.381601788 1.485520362</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">126</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.57668858" y3="-1.38001847" z3="2.07663374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51156412" y3="-1.94218264" z3="2.2506369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.82480896" y3="-2.09147951" z3="1.68850004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77939133" y3="-0.63670763" z3="1.28280584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.10919252" y3="-0.7069886" z3="3.36446238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.13424444" y3="-0.21049183" z3="3.1908856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.94669843" y3="-1.47393289" z3="4.14023206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10604045" y3="0.3154511" z3="3.91158414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09065804" y3="-0.17131002" z3="4.01506261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22548675" y3="1.13940508" z3="3.17993471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.7005275" y3="0.88179723" z3="5.26698424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31940663" y3="1.75954835" z3="5.55012777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65905448" y3="1.25561661" z3="5.23009709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84192765" y3="-0.11143484" z3="6.42550772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2478289" y3="-0.58484091" z3="8.84600959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22531162" y3="-0.9980975" z3="9.15889994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.8551017" y3="-0.02930449" z3="9.72289815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.33225743" y3="-1.7876172" z3="8.54944715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.79681807" y3="-2.35203163" z3="7.719311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31241348" y3="-2.45875224" z3="9.43039792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09472116" y3="-1.40166937" z3="8.15977697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61581799" y3="-0.95926202" z3="9.03512439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.03713005" y3="-0.60471203" z3="7.39679205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.93503083" y3="-2.55210901" z3="7.59912419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.92194682" y3="-2.16118323" z3="7.29420201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.44711074" y3="-2.92558317" z3="6.67569806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.13498459" y3="-3.71848288" z3="8.56591663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5851882" y3="-3.37249772" z3="9.51847474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.18310442" y3="-4.21229757" z3="8.80297944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.80683277" y3="-4.4839999" z3="8.13879876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40089874" y3="-1.2139435" z3="6.23840176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43183614" y3="0.37376921" z3="7.69235685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.77080008" y3="1.24841908" z3="7.67449232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.27993837" y3="0.63481352" z3="5.87172169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54220413" y3="1.36323676" z3="5.50145222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21923308" y3="0.76109534" z3="5.29676674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.87464524" y3="-0.37697556" z3="5.67985461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50763378" y3="0.84516107" z3="7.36645939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80994864" y3="1.89625477" z3="7.54547056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35219743" y3="0.20649022" z3="7.696735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28951124" y3="0.51507833" z3="8.23373593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.90686112" y3="-0.48340846" z3="7.94352345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.60743465" y3="0.43849617" z3="9.29204492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16773386" y3="1.57557941" z3="8.16892256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.25560435" y3="2.55214689" z3="7.40563923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66393443" y3="1.70941191" z3="9.16300516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5767,-1.38,2.0766;-3.5116,-1.9422,2.2506;-1.8248,-2.0915,1.6885;-2.7794,-.6367,1.2828;-2.1092,-.707,3.3645;-1.1342,-.2105,3.1909;-1.9467,-1.4739,4.1402;-3.106,.3155,3.9116;-4.0907,-.1713,4.0151;-3.2255,1.1394,3.1799;-2.7005,.8818,5.267;-3.3194,1.7595,5.5501;-1.6591,1.2556,5.2301;-2.8419,-.1114,6.4255;-2.2478,-.5848,8.846;-3.2253,-.9981,9.1589;-1.8551,-.0293,9.7229;-1.3323,-1.7876,8.5494;-1.7968,-2.352,7.7193;-1.3124,-2.4588,9.4304;.0947,-1.4017,8.1598;.6158,-.9593,9.0351;.0371,-.6047,7.3968;.935,-2.5521,7.5991;1.9219,-2.1612,7.2942;.4471,-2.9256,6.6757;1.135,-3.7185,8.5659;1.5852,-3.3725,9.5185;.1831,-4.2123,8.803;1.8068,-4.484,8.1388;-3.4009,-1.2139,6.2384;-2.4318,.3738,7.6924;-1.7708,1.2484,7.6745;-6.2799,.6348,5.8717;-5.5422,1.3632,5.5015;-7.2192,.7611,5.2968;-5.8746,-.377,5.6799;-6.5076,.8452,7.3665;-6.8099,1.8963,7.5455;-7.3522,.2065,7.6967;-5.2895,.5151,8.2337;-4.9069,-.4834,7.9435;-5.6074,.4385,9.292;-4.1677,1.5756,8.1689;-4.2556,2.5521,7.4056;-3.6639,1.7094,9.163;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724105606560</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009459926008 0.001472170629 0.029256143611 0.008513240706</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045576361 -0.004832579 0.000128310 0.000531925 0.000695244 0.000778139 0.001070092 0.002111271 0.002567535 0.002933004 0.004078595 0.005428808 0.005999044 0.006548592 0.006915192 0.009787603 0.010496660 0.011114839 0.014064435 0.015176127 0.018395779 0.019670544 0.020966217 0.023386385 0.024640617 0.026017503 0.026629854 0.030287238 0.031614366 0.035097790 0.036757638 0.039521000 0.043674319 0.046124453 0.047497201 0.050050102 0.050365009 0.050981377 0.052066104 0.052986909 0.053222104 0.058080840 0.058646807 0.060503993 0.063317345 0.065960157 0.066395020 0.067948555 0.071631565 0.076603381 0.077213230 0.079550853 0.080966128 0.081565058 0.086079002 0.089290973 0.092633325 0.093141438 0.094059848 0.107943313 0.110272049 0.113092310 0.114193525 0.117856634 0.120016788 0.128656612 0.131006139 0.134150257 0.144387794 0.147664254 0.152237311 0.153766133 0.155890776 0.158280648 0.161542737 0.170513024 0.178703471 0.180961325 0.184378751 0.187129456 0.208282567 0.211026549 0.217507129 0.225756082 0.234928373 0.246943701 0.258939212 0.262290268 0.286632752 0.304688001 0.309649035 0.324624328 0.352059102 0.418593173 0.437519083 0.485899370 0.533411663 0.573927267 0.586723740 0.636163535 0.651940041 0.685361057 0.705073787 0.756487725 0.764466778 0.773234934 0.782909440 0.785097291 0.789558282 0.803909534 0.814161109 0.821110508 0.825961419 0.828543691 0.851122965 0.852981384 0.870855616 0.871778528 0.883003625 0.893265022 0.898879694 0.910255699 0.920211968 0.930077892 0.953049008 0.969758465 0.977702739 0.979521984 1.013408683 1.062239644 1.381609135 1.485540289</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">127</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.58821061" y3="-1.37071508" z3="2.06319461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53367963" y3="-1.9200966" z3="2.22317175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.84366589" y3="-2.09016102" z3="1.67543064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.77173888" y3="-0.61673936" z3="1.27416351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.12174806" y3="-0.71618522" z3="3.36142928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.13843078" y3="-0.23086809" z3="3.19987727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.97595457" y3="-1.49222691" z3="4.13222332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.10953579" y3="0.31461378" z3="3.9093591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.09867093" y3="-0.16359585" z3="4.01203633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22126944" y3="1.140237" z3="3.17823891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6998541" y3="0.87794238" z3="5.26477628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31610545" y3="1.75698196" z3="5.54923152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65757127" y3="1.24903077" z3="5.22604818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84135542" y3="-0.11532496" z3="6.42276976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24713086" y3="-0.59150779" z3="8.84078362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2251569" y3="-1.00745973" z3="9.14929448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.86485172" y3="-0.03835345" z3="9.7197314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.327767" y3="-1.78867541" z3="8.55024608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.78311023" y3="-2.3532019" z3="7.71860555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31099107" y3="-2.45906753" z3="9.43394041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.09938368" y3="-1.39798923" z3="8.16814234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61193501" y3="-0.95249825" z3="9.04455834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.04849557" y3="-0.60409494" z3="7.4021161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.94275061" y3="-2.54991451" z3="7.61133213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.93755303" y3="-2.16090447" z3="7.30467767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.46913731" y3="-2.92425382" z3="6.68761367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.14712207" y3="-3.71621145" z3="8.57817076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58181076" y3="-3.36861755" z3="9.53106132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.18349036" y3="-4.20950033" z3="8.82001568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.82286469" y3="-4.48139016" z3="8.15364186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40178475" y3="-1.21725043" z3="6.23537156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42918926" y3="0.36801475" z3="7.6887446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76981452" y3="1.24359664" z3="7.67288679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28229621" y3="0.6410594" z3="5.87200019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54390047" y3="1.3693912" z3="5.50477012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.21965997" y3="0.77295538" z3="5.30248397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.87997863" y3="-0.36612504" z3="5.67384617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50823218" y3="0.84766471" z3="7.36867517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80563567" y3="1.8932018" z3="7.55335633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3510929" y3="0.20775769" z3="7.69796909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28875497" y3="0.51179207" z3="8.22988078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91309764" y3="-0.48243386" z3="7.93397683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.60292969" y3="0.43161964" z3="9.28915685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16836327" y3="1.57434125" z3="8.1657875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.25338827" y3="2.55123051" z3="7.40337903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6635949" y3="1.70438821" z3="9.1597214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5882,-1.3707,2.0632;-3.5337,-1.9201,2.2232;-1.8437,-2.0902,1.6754;-2.7717,-.6167,1.2742;-2.1217,-.7162,3.3614;-1.1384,-.2309,3.1999;-1.976,-1.4922,4.1322;-3.1095,.3146,3.9094;-4.0987,-.1636,4.012;-3.2213,1.1402,3.1782;-2.6999,.8779,5.2648;-3.3161,1.757,5.5492;-1.6576,1.249,5.226;-2.8414,-.1153,6.4228;-2.2471,-.5915,8.8408;-3.2252,-1.0075,9.1493;-1.8649,-.0384,9.7197;-1.3278,-1.7887,8.5502;-1.7831,-2.3532,7.7186;-1.311,-2.4591,9.4339;.0994,-1.398,8.1681;.6119,-.9525,9.0446;.0485,-.6041,7.4021;.9428,-2.5499,7.6113;1.9376,-2.1609,7.3047;.4691,-2.9243,6.6876;1.1471,-3.7162,8.5782;1.5818,-3.3686,9.5311;.1835,-4.2095,8.82;1.8229,-4.4814,8.1536;-3.4018,-1.2173,6.2354;-2.4292,.368,7.6887;-1.7698,1.2436,7.6729;-6.2823,.6411,5.872;-5.5439,1.3694,5.5048;-7.2197,.773,5.3025;-5.88,-.3661,5.6738;-6.5082,.8477,7.3687;-6.8056,1.8932,7.5534;-7.3511,.2078,7.698;-5.2888,.5118,8.2299;-4.9131,-.4824,7.934;-5.6029,.4316,9.2892;-4.1684,1.5743,8.1658;-4.2534,2.5512,7.4034;-3.6636,1.7044,9.1597;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724151665497</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010334569504 0.001564953060 0.030548888594 0.008512232386</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045558077 -0.004572684 0.000126393 0.000513421 0.000700335 0.000779654 0.001074210 0.002110284 0.002566827 0.002939303 0.004085933 0.005434969 0.006015483 0.006550676 0.006925351 0.009786890 0.010513105 0.011128106 0.014156252 0.015260995 0.018486120 0.019820413 0.021014710 0.023460123 0.024931247 0.026035569 0.026691151 0.030287038 0.031610101 0.035154366 0.036762824 0.039521295 0.043683356 0.046134021 0.047555941 0.050047780 0.050368257 0.051064829 0.052075308 0.053002494 0.053223317 0.058086959 0.058697065 0.060519092 0.063344656 0.066162566 0.066498392 0.068048012 0.071629510 0.076623398 0.077364019 0.079645465 0.081060661 0.081565677 0.086298025 0.089302844 0.092968267 0.093565517 0.095220230 0.108249322 0.110277176 0.113096946 0.114196214 0.118028852 0.120192691 0.128666185 0.131027448 0.134165194 0.144407230 0.147815580 0.152303348 0.153769303 0.156651167 0.159617953 0.161701085 0.171376030 0.178815329 0.180966960 0.184477552 0.188378973 0.208341940 0.211110677 0.217530245 0.225759512 0.235326574 0.247163278 0.259113659 0.262333014 0.286654855 0.304740772 0.309836920 0.324835685 0.352831876 0.419295168 0.437713623 0.485904171 0.533419905 0.573992448 0.586973819 0.636175660 0.651972265 0.685489352 0.705103514 0.756488500 0.764462191 0.773262105 0.782913191 0.785098591 0.789558620 0.804026331 0.814258138 0.821162641 0.825964338 0.828979751 0.851137361 0.853002762 0.870860914 0.871837090 0.883017502 0.893280634 0.898879737 0.912116376 0.920235988 0.937776858 0.953943313 0.972605132 0.978143756 0.979712057 1.014005207 1.062849760 1.381644520 1.485558288</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">128</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.59519115" y3="-1.36243277" z3="2.04965202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55333996" y3="-1.8949904" z3="2.19262286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.85947706" y3="-2.09261273" z3="1.66507502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.75401042" y3="-0.5980703" z3="1.26477252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.13272419" y3="-0.72734258" z3="3.35920568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14080335" y3="-0.25449903" z3="3.21224032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.00614803" y3="-1.51218053" z3="4.12479311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11198148" y3="0.31201334" z3="3.90614896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.10537975" y3="-0.15774099" z3="4.00757533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21591743" y3="1.13864628" z3="3.17492606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69958879" y3="0.87267442" z3="5.26162322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31378901" y3="1.75277476" z3="5.54722448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65661638" y3="1.24163319" z3="5.22200112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84153723" y3="-0.12065427" z3="6.419236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24717336" y3="-0.59595189" z3="8.8383325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22668401" y3="-1.01295269" z3="9.1505597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.85795782" y3="-0.03824925" z3="9.71842844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32332438" y3="-1.79216128" z3="8.54764083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.77688282" y3="-2.35780077" z3="7.7130074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30943545" y3="-2.46351466" z3="9.42926374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.10392201" y3="-1.39799549" z3="8.17304192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61520414" y3="-0.95211199" z3="9.0538522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.05150439" y3="-0.60148479" z3="7.40843312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.95602793" y3="-2.54462701" z3="7.62192935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.94332189" y3="-2.14918961" z3="7.33079873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.48037772" y3="-2.92042128" z3="6.69276617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.14841944" y3="-3.71093175" z3="8.5905055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.5833957" y3="-3.36235577" z3="9.54893881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.19477622" y3="-4.21021305" z3="8.81543965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.82956427" y3="-4.47456124" z3="8.17045075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40279522" y3="-1.22248869" z3="6.23247203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42914778" y3="0.3627961" z3="7.68528966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76920677" y3="1.23781466" z3="7.66937251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.28756927" y3="0.65119022" z3="5.87529601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5480596" y3="1.3798722" z3="5.50870021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.22796583" y3="0.78587147" z3="5.30450455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.88565614" y3="-0.35804383" z3="5.67223801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50956529" y3="0.84970112" z3="7.37196436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80768489" y3="1.8983124" z3="7.56029528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35071147" y3="0.2083154" z3="7.69938345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28729047" y3="0.50998003" z3="8.22892529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91077162" y3="-0.48640991" z3="7.92774404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.59897659" y3="0.42458987" z3="9.28879583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16532163" y3="1.56934063" z3="8.16403759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.25162212" y3="2.54671918" z3="7.400809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.66017575" y3="1.70019951" z3="9.15757491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5952,-1.3624,2.0497;-3.5533,-1.895,2.1926;-1.8595,-2.0926,1.6651;-2.754,-.5981,1.2648;-2.1327,-.7273,3.3592;-1.1408,-.2545,3.2122;-2.0061,-1.5122,4.1248;-3.112,.312,3.9061;-4.1054,-.1577,4.0076;-3.2159,1.1386,3.1749;-2.6996,.8727,5.2616;-3.3138,1.7528,5.5472;-1.6566,1.2416,5.222;-2.8415,-.1207,6.4192;-2.2472,-.596,8.8383;-3.2267,-1.013,9.1506;-1.858,-.0382,9.7184;-1.3233,-1.7922,8.5476;-1.7769,-2.3578,7.713;-1.3094,-2.4635,9.4293;.1039,-1.398,8.173;.6152,-.9521,9.0539;.0515,-.6015,7.4084;.956,-2.5446,7.6219;1.9433,-2.1492,7.3308;.4804,-2.9204,6.6928;1.1484,-3.7109,8.5905;1.5834,-3.3624,9.5489;.1948,-4.2102,8.8154;1.8296,-4.4746,8.1705;-3.4028,-1.2225,6.2325;-2.4291,.3628,7.6853;-1.7692,1.2378,7.6694;-6.2876,.6512,5.8753;-5.5481,1.3799,5.5087;-7.228,.7859,5.3045;-5.8857,-.358,5.6722;-6.5096,.8497,7.372;-6.8077,1.8983,7.5603;-7.3507,.2083,7.6994;-5.2873,.51,8.2289;-4.9108,-.4864,7.9277;-5.599,.4246,9.2888;-4.1653,1.5693,8.164;-4.2516,2.5467,7.4008;-3.6602,1.7002,9.1576;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724216024407</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007860764951 0.001422160493 0.033365225743 0.008512049362</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045536160 -0.003591815 0.000112540 0.000505767 0.000723367 0.000781482 0.001094145 0.002111444 0.002571638 0.002938093 0.004109319 0.005438235 0.006013424 0.006550843 0.006927747 0.009796851 0.010520784 0.011129269 0.014169975 0.015300709 0.018516552 0.019863333 0.021048820 0.023492881 0.025300766 0.026054383 0.026692666 0.030294515 0.031628722 0.035240758 0.036763063 0.039527436 0.043727342 0.046160399 0.047558256 0.050068776 0.050409916 0.051098088 0.052095022 0.053002842 0.053223732 0.058092945 0.058846310 0.060583169 0.063361216 0.066230948 0.066859268 0.068058962 0.071740934 0.076662865 0.077562422 0.079752329 0.081140370 0.081569299 0.086572082 0.089327935 0.092977129 0.093712146 0.096456067 0.108411470 0.110312395 0.113098930 0.114233640 0.118048491 0.120207322 0.128668187 0.131048850 0.134202173 0.144487740 0.147938451 0.152319184 0.153770877 0.156747131 0.160648534 0.161922400 0.171831954 0.178869506 0.180974155 0.184506589 0.189734528 0.208431813 0.211127933 0.217570165 0.225758895 0.235947476 0.247614062 0.259141600 0.262349483 0.286670354 0.304774912 0.309876116 0.324913054 0.353753569 0.419544827 0.437729949 0.485930352 0.533428925 0.574082131 0.587092727 0.636224067 0.652235090 0.685845227 0.705261453 0.756501652 0.764971790 0.773278129 0.782951139 0.785098870 0.789587658 0.804241874 0.814486675 0.821202846 0.825988190 0.829080388 0.851163305 0.853058215 0.870881818 0.871845093 0.883097770 0.893301880 0.898888166 0.913012964 0.920240392 0.943639935 0.955859308 0.974264933 0.978774965 0.981114339 1.014563731 1.063225614 1.381759922 1.485626622</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">129</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.59954904" y3="-1.35516794" z3="2.03728063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.57131773" y3="-1.86811461" z3="2.16019383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.87340271" y3="-2.09805399" z3="1.65858651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.72939447" y3="-0.58137171" z3="1.25590216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.14436414" y3="-0.74024935" z3="3.3590028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14373379" y3="-0.28127627" z3="3.22860935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.03951325" y3="-1.53331326" z3="4.11928216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1146471" y3="0.30843661" z3="3.90395508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11274384" y3="-0.15168946" z3="4.002994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20933985" y3="1.13573531" z3="3.17223825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69981666" y3="0.86732631" z3="5.2597138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.31203441" y3="1.74881689" z3="5.54533745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65622299" y3="1.23443419" z3="5.21857801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84229454" y3="-0.12441215" z3="6.41883938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24679922" y3="-0.59780648" z3="8.83758362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22320924" y3="-1.01759072" z3="9.1392412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.87015408" y3="-0.04446244" z3="9.71778525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.32132268" y3="-1.79292598" z3="8.54717515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.77075809" y3="-2.35526222" z3="7.70916777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30879258" y3="-2.46854594" z3="9.42512894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.10755926" y3="-1.39589881" z3="8.17956907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.60882705" y3="-0.95195838" z3="9.06194258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.05705155" y3="-0.59869736" z3="7.41664863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.96201831" y3="-2.54100867" z3="7.62991612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.95729781" y3="-2.14614899" z3="7.33504907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.4991001" y3="-2.91583514" z3="6.700405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.15958013" y3="-3.70715259" z3="8.59806288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58254553" y3="-3.3583328" z3="9.55728195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.19806983" y3="-4.20641842" z3="8.82521678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.84460638" y3="-4.4667545" z3="8.18212658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40508401" y3="-1.22555153" z3="6.23360005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42853709" y3="0.36071081" z3="7.68435192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76724683" y3="1.23499322" z3="7.66567954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.29081897" y3="0.65861222" z3="5.8755127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55239485" y3="1.3889888" z3="5.51119065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2309982" y3="0.7975876" z3="5.30925475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.89435059" y3="-0.35052162" z3="5.66852554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51026056" y3="0.85251989" z3="7.37505607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80818603" y3="1.89847555" z3="7.56881212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35528249" y3="0.21297656" z3="7.70396712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28624397" y3="0.50717555" z3="8.22735623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9106121" y3="-0.48643923" z3="7.91987557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.59395513" y3="0.41737471" z3="9.28810628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.16325242" y3="1.56669854" z3="8.16394272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.2467337" y3="2.5442406" z3="7.40237965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.65725744" y3="1.6963134" z3="9.15746332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.5995,-1.3552,2.0373;-3.5713,-1.8681,2.1602;-1.8734,-2.0981,1.6586;-2.7294,-.5814,1.2559;-2.1444,-.7402,3.359;-1.1437,-.2813,3.2286;-2.0395,-1.5333,4.1193;-3.1146,.3084,3.904;-4.1127,-.1517,4.003;-3.2093,1.1357,3.1722;-2.6998,.8673,5.2597;-3.312,1.7488,5.5453;-1.6562,1.2344,5.2186;-2.8423,-.1244,6.4188;-2.2468,-.5978,8.8376;-3.2232,-1.0176,9.1392;-1.8702,-.0445,9.7178;-1.3213,-1.7929,8.5472;-1.7708,-2.3553,7.7092;-1.3088,-2.4685,9.4251;.1076,-1.3959,8.1796;.6088,-.952,9.0619;.0571,-.5987,7.4166;.962,-2.541,7.6299;1.9573,-2.1461,7.335;.4991,-2.9158,6.7004;1.1596,-3.7072,8.5981;1.5825,-3.3583,9.5573;.1981,-4.2064,8.8252;1.8446,-4.4668,8.1821;-3.4051,-1.2256,6.2336;-2.4285,.3607,7.6844;-1.7672,1.235,7.6657;-6.2908,.6586,5.8755;-5.5524,1.389,5.5112;-7.231,.7976,5.3093;-5.8944,-.3505,5.6685;-6.5103,.8525,7.3751;-6.8082,1.8985,7.5688;-7.3553,.213,7.704;-5.2862,.5072,8.2274;-4.9106,-.4864,7.9199;-5.594,.4174,9.2881;-4.1633,1.5667,8.1639;-4.2467,2.5442,7.4024;-3.6573,1.6963,9.1575;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724273042611</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005623006020 0.001215744813 0.032402543366 0.008513213133</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045517788 -0.002673377 0.000103858 0.000504371 0.000723662 0.000788699 0.001115949 0.002114414 0.002575219 0.002939375 0.004230201 0.005438933 0.006036024 0.006559190 0.006928467 0.009798616 0.010574385 0.011130198 0.014176364 0.015303654 0.018525996 0.019862996 0.021053184 0.023493458 0.025533010 0.026067209 0.026714494 0.030321683 0.031634706 0.035287366 0.036763061 0.039532448 0.043780808 0.046175568 0.047570664 0.050132924 0.050517932 0.051103451 0.052217270 0.053009733 0.053241007 0.058101809 0.059021827 0.060732982 0.063369484 0.066260871 0.067174307 0.068065700 0.072007427 0.076684026 0.077762169 0.079888802 0.081141791 0.081570357 0.086864496 0.089362464 0.092980599 0.093751997 0.097286882 0.108532657 0.110342007 0.113099036 0.114410428 0.118051075 0.120227202 0.128743521 0.131048611 0.134224915 0.144836207 0.148027596 0.152344573 0.153774982 0.156746342 0.161113493 0.162183593 0.171876584 0.178914648 0.181029522 0.184542811 0.190376832 0.208443996 0.211131297 0.217586481 0.225760006 0.236287657 0.248027454 0.259146540 0.262481792 0.286675315 0.304825671 0.309914884 0.324968723 0.354048541 0.419697528 0.437732531 0.485972240 0.533518978 0.574259625 0.587132277 0.636279658 0.652456413 0.686082954 0.705417616 0.756562752 0.766471506 0.773454361 0.783059220 0.785136449 0.789615657 0.804531346 0.815045599 0.821238920 0.825988877 0.829125120 0.851194107 0.853094956 0.870920540 0.871912283 0.883237701 0.893324022 0.898890019 0.913451932 0.920259527 0.946415752 0.958080487 0.974760816 0.978928182 0.983050369 1.014908066 1.063389758 1.381940362 1.485695263</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">130</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.60346202" y3="-1.34789969" z3="2.02490209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58764804" y3="-1.84222503" z3="2.12884373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.88616017" y3="-2.10258546" z3="1.65190343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.70561608" y3="-0.56580987" z3="1.24713962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.15577062" y3="-0.75157343" z3="3.35778341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.14684393" y3="-0.30629716" z3="3.24294678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.0719158" y3="-1.5517493" z3="4.11349912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11682685" y3="0.30710068" z3="3.90037482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.11992567" y3="-0.14286961" z3="3.99742466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20155024" y3="1.13544265" z3="3.16857676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69910777" y3="0.86269576" z3="5.25646239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30827793" y3="1.74584708" z3="5.54388571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65421629" y3="1.22609871" z3="5.21499407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84395552" y3="-0.12915139" z3="6.41414514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24991285" y3="-0.60501988" z3="8.83279019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22924633" y3="-1.02661194" z3="9.14002149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.86873531" y3="-0.04609558" z3="9.7147137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.319487" y3="-1.79468724" z3="8.54765819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.76255708" y3="-2.36019787" z3="7.7090044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30830507" y3="-2.46831976" z3="9.42908352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.10966162" y3="-1.39254075" z3="8.18386398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.61190657" y3="-0.94382423" z3="9.06845629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.06269164" y3="-0.59719995" z3="7.41860566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.97174568" y3="-2.53578747" z3="7.63885176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.9615094" y3="-2.13595197" z3="7.35549672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.50774839" y3="-2.91239533" z3="6.70522065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.16370726" y3="-3.70180603" z3="8.60841356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58344569" y3="-3.3524777" z3="9.57106644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.20852094" y3="-4.20589352" z3="8.8251579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.85321802" y3="-4.4615213" z3="8.19381115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.40906779" y3="-1.22884145" z3="6.22876677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4308535" y3="0.35437602" z3="7.68025522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7667986" y3="1.22615226" z3="7.66322992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.2985165" y3="0.66790691" z3="5.87993901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55692983" y3="1.39675554" z3="5.51930303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.23955364" y3="0.81241365" z3="5.31651499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.90198769" y3="-0.34035837" z3="5.66479824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51068969" y3="0.85462392" z3="7.38038057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80381378" y3="1.90126088" z3="7.57904659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.34933056" y3="0.21083852" z3="7.70770508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28314006" y3="0.50401526" z3="8.22490253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91415708" y3="-0.48820132" z3="7.90994628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58593677" y3="0.40771765" z3="9.28597195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15879734" y3="1.56202767" z3="8.15978893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.24407407" y3="2.54109119" z3="7.39789919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.65495656" y3="1.69198449" z3="9.15434257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6035,-1.3479,2.0249;-3.5876,-1.8422,2.1288;-1.8862,-2.1026,1.6519;-2.7056,-.5658,1.2471;-2.1558,-.7516,3.3578;-1.1468,-.3063,3.2429;-2.0719,-1.5517,4.1135;-3.1168,.3071,3.9004;-4.1199,-.1429,3.9974;-3.2016,1.1354,3.1686;-2.6991,.8627,5.2565;-3.3083,1.7458,5.5439;-1.6542,1.2261,5.215;-2.844,-.1292,6.4141;-2.2499,-.605,8.8328;-3.2292,-1.0266,9.14;-1.8687,-.0461,9.7147;-1.3195,-1.7947,8.5477;-1.7626,-2.3602,7.709;-1.3083,-2.4683,9.4291;.1097,-1.3925,8.1839;.6119,-.9438,9.0685;.0627,-.5972,7.4186;.9717,-2.5358,7.6389;1.9615,-2.136,7.3555;.5077,-2.9124,6.7052;1.1637,-3.7018,8.6084;1.5834,-3.3525,9.5711;.2085,-4.2059,8.8252;1.8532,-4.4615,8.1938;-3.4091,-1.2288,6.2288;-2.4309,.3544,7.6803;-1.7668,1.2262,7.6632;-6.2985,.6679,5.8799;-5.5569,1.3968,5.5193;-7.2396,.8124,5.3165;-5.902,-.3404,5.6648;-6.5107,.8546,7.3804;-6.8038,1.9013,7.579;-7.3493,.2108,7.7077;-5.2831,.504,8.2249;-4.9142,-.4882,7.9099;-5.5859,.4077,9.286;-4.1588,1.562,8.1598;-4.2441,2.5411,7.3979;-3.655,1.692,9.1543;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724316998707</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005129063171 0.000997480868 0.033424065651 0.008514128434</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045541228 -0.001951236 0.000117947 0.000504605 0.000737175 0.000803924 0.001136912 0.002124476 0.002575818 0.002939466 0.004357514 0.005440719 0.006071176 0.006568396 0.006928287 0.009802229 0.010602457 0.011131305 0.014192529 0.015303608 0.018525298 0.019879441 0.021062438 0.023497507 0.025679845 0.026103846 0.026769545 0.030365213 0.031641150 0.035285262 0.036763066 0.039535411 0.043831854 0.046179103 0.047617635 0.050169745 0.050634710 0.051105666 0.052373660 0.053018033 0.053287767 0.058115847 0.059223027 0.060911553 0.063382540 0.066259109 0.067374093 0.068124868 0.072386301 0.076733024 0.077851445 0.079945077 0.081145710 0.081572082 0.087100187 0.089396420 0.092982796 0.093784926 0.097710971 0.108658535 0.110432938 0.113102553 0.114646704 0.118096139 0.120398360 0.128953193 0.131051910 0.134227907 0.145302966 0.148071170 0.152353736 0.153790585 0.156752998 0.161495791 0.162375905 0.171876216 0.178939399 0.181208191 0.184541951 0.190620216 0.208452894 0.211131968 0.217683499 0.225759849 0.236429620 0.248425801 0.259227799 0.262479337 0.286676433 0.304835072 0.309930332 0.325000447 0.354267090 0.419707210 0.437802086 0.485975881 0.533534246 0.574424055 0.587135326 0.636322688 0.652653268 0.686145180 0.705461134 0.756688532 0.767846471 0.773901316 0.783503756 0.785162206 0.789774953 0.804765523 0.815678425 0.821260877 0.826015517 0.829128195 0.851276275 0.853315503 0.871021685 0.872017334 0.883254793 0.893372359 0.898891389 0.913632541 0.920260105 0.947580264 0.960212003 0.974757441 0.978930145 0.983884834 1.015132579 1.063432700 1.382028444 1.485721077</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">131</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.60879061" y3="-1.3420481" z3="2.01451086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60414492" y3="-1.8164324" z3="2.10068479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.90203779" y3="-2.10884982" z3="1.6464613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.6834578" y3="-0.55313958" z3="1.24095145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.16814726" y3="-0.76366779" z3="3.35740673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.15135952" y3="-0.33329663" z3="3.25782027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.10533986" y3="-1.57034223" z3="4.10775443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.11917624" y3="0.30542265" z3="3.89738455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.12779714" y3="-0.13296624" z3="3.99069852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19257647" y3="1.13482459" z3="3.1653416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69956778" y3="0.85807448" z3="5.25429107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30635248" y3="1.74296184" z3="5.54219392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65373389" y3="1.21883696" z3="5.21254068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84616728" y3="-0.13280108" z3="6.41277258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.24991154" y3="-0.60803575" z3="8.83133386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.22607099" y3="-1.03290304" z3="9.12732814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.8777421" y3="-0.05392779" z3="9.71495622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31543206" y3="-1.79763165" z3="8.54378947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.75636323" y3="-2.36180393" z3="7.70131155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30736387" y3="-2.47461477" z3="9.4206372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11340605" y3="-1.39228004" z3="8.18999796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.6048012" y3="-0.94673181" z3="9.07781839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.06444576" y3="-0.59374967" z3="7.42758152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.98036311" y3="-2.53156686" z3="7.64761699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.97416642" y3="-2.13002182" z3="7.36477463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.5272185" y3="-2.90928018" z3="6.71331741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.17356961" y3="-3.69732811" z3="8.61698604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58856558" y3="-3.34547249" z3="9.58111919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.2152205" y3="-4.20327249" z3="8.83402186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.86765324" y3="-4.45205015" z3="8.20789375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.41375082" y3="-1.23137731" z3="6.22910556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.432057" y3="0.35228759" z3="7.67923437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76439374" y3="1.22190521" z3="7.65894122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30068769" y3="0.67742173" z3="5.88155639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55876208" y3="1.40657615" z3="5.52008404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24393709" y3="0.82676956" z3="5.31886327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.91167679" y3="-0.3311042" z3="5.66227034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51148463" y3="0.85668729" z3="7.38309055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80791315" y3="1.90237934" z3="7.58811659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35606216" y3="0.21592161" z3="7.70986117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.28175495" y3="0.50168377" z3="8.22368299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91134001" y3="-0.49159759" z3="7.90362298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.58179003" y3="0.40186467" z3="9.28684562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15489873" y3="1.55805482" z3="8.15929391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.23940017" y3="2.53735001" z3="7.39780454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.65193693" y3="1.6897275" z3="9.15421778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6088,-1.342,2.0145;-3.6041,-1.8164,2.1007;-1.902,-2.1088,1.6465;-2.6835,-.5531,1.241;-2.1681,-.7637,3.3574;-1.1514,-.3333,3.2578;-2.1053,-1.5703,4.1078;-3.1192,.3054,3.8974;-4.1278,-.133,3.9907;-3.1926,1.1348,3.1653;-2.6996,.8581,5.2543;-3.3064,1.743,5.5422;-1.6537,1.2188,5.2125;-2.8462,-.1328,6.4128;-2.2499,-.608,8.8313;-3.2261,-1.0329,9.1273;-1.8777,-.0539,9.715;-1.3154,-1.7976,8.5438;-1.7564,-2.3618,7.7013;-1.3074,-2.4746,9.4206;.1134,-1.3923,8.19;.6048,-.9467,9.0778;.0644,-.5937,7.4276;.9804,-2.5316,7.6476;1.9742,-2.13,7.3648;.5272,-2.9093,6.7133;1.1736,-3.6973,8.617;1.5886,-3.3455,9.5811;.2152,-4.2033,8.834;1.8677,-4.4521,8.2079;-3.4138,-1.2314,6.2291;-2.4321,.3523,7.6792;-1.7644,1.2219,7.6589;-6.3007,.6774,5.8816;-5.5588,1.4066,5.5201;-7.2439,.8268,5.3189;-5.9117,-.3311,5.6623;-6.5115,.8567,7.3831;-6.8079,1.9024,7.5881;-7.3561,.2159,7.7099;-5.2818,.5017,8.2237;-4.9113,-.4916,7.9036;-5.5818,.4019,9.2868;-4.1549,1.5581,8.1593;-4.2394,2.5374,7.3978;-3.6519,1.6897,9.1542;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724352733552</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004076696394 0.000880855318 0.028464864439 0.008512674356</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045551728 -0.001583353 0.000204321 0.000506857 0.000737050 0.000823274 0.001148696 0.002137210 0.002577867 0.002939589 0.004411661 0.005451698 0.006093939 0.006614877 0.006927839 0.009828256 0.010609130 0.011136781 0.014211543 0.015306447 0.018526695 0.019885844 0.021061628 0.023501637 0.025717980 0.026122173 0.026832160 0.030378599 0.031687937 0.035304256 0.036765661 0.039538414 0.043851416 0.046182471 0.047661579 0.050183637 0.050676907 0.051105641 0.052488749 0.053021594 0.053365589 0.058129343 0.059370150 0.061045770 0.063390678 0.066260808 0.067466562 0.068220029 0.072607581 0.076741585 0.077940701 0.079967470 0.081157840 0.081575415 0.087209995 0.089425502 0.092983166 0.093802105 0.097803359 0.108810199 0.110622966 0.113103067 0.114881512 0.118140388 0.120601996 0.129229701 0.131077008 0.134243525 0.145737817 0.148070290 0.152367894 0.153805436 0.156789045 0.161738135 0.162584304 0.172021789 0.178952934 0.181467406 0.184542024 0.190629947 0.208457925 0.211136007 0.217682137 0.225778859 0.236425290 0.248624113 0.259380793 0.262557125 0.286822986 0.304846292 0.310034227 0.325010521 0.354261203 0.419740386 0.437967036 0.485986135 0.533637458 0.574470841 0.587185229 0.636350574 0.652726296 0.686173336 0.705464236 0.756701780 0.768390747 0.774942327 0.783832104 0.785398019 0.789825647 0.804932938 0.816169262 0.821271558 0.826016284 0.829151656 0.851562557 0.853797317 0.871123504 0.872202497 0.883274062 0.893395650 0.898893862 0.913763893 0.920264386 0.948035304 0.961627823 0.975002297 0.978954280 0.983970312 1.015178911 1.063483160 1.382030578 1.485720938</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">132</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.6173442" y3="-1.33403834" z3="2.00287722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62081256" y3="-1.79237067" z3="2.07687627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.91985685" y3="-2.11025937" z3="1.63659799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67198199" y3="-0.53979058" z3="1.23362321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.18003998" y3="-0.77120798" z3="3.35320351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.15689527" y3="-0.3540721" z3="3.26476021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.13380473" y3="-1.58347636" z3="4.09822189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1211443" y3="0.30671382" z3="3.89332534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.13469938" y3="-0.12119676" z3="3.98336546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18443277" y3="1.13804205" z3="3.16248174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69859732" y3="0.85450221" z3="5.25132654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.30235483" y3="1.74094183" z3="5.54112598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.65154074" y3="1.21194121" z3="5.20937744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84744332" y3="-0.13716241" z3="6.40835869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25298738" y3="-0.61655355" z3="8.8258857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23224416" y3="-1.04369509" z3="9.12224893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.88412884" y3="-0.05938913" z3="9.7117302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.31496479" y3="-1.80214797" z3="8.54386521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.74716706" y3="-2.3654833" z3="7.69845932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30867328" y3="-2.4804258" z3="9.42101175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.11689635" y3="-1.39240956" z3="8.19575882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.60545733" y3="-0.94108466" z3="9.08596465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.07314184" y3="-0.59700426" z3="7.43058184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="0.99287189" y3="-2.52903665" z3="7.66041377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.98359219" y3="-2.12179569" z3="7.38478833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.54301217" y3="-2.90984009" z3="6.72256545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.18531793" y3="-3.69237814" z3="8.63311759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.58921915" y3="-3.33959526" z3="9.59871737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.22998103" y3="-4.20241284" z3="8.84117238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.88394316" y3="-4.44862771" z3="8.22532179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.41888963" y3="-1.23349476" z3="6.22451282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43118955" y3="0.34499566" z3="7.67471692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.76136543" y3="1.21276159" z3="7.6564639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31033536" y3="0.68483584" z3="5.88185107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56811284" y3="1.4147395" z3="5.52462912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25293787" y3="0.83900141" z3="5.32680516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92189545" y3="-0.32524851" z3="5.65712357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51214892" y3="0.86098704" z3="7.38697606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80271834" y3="1.90670362" z3="7.59681796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35084197" y3="0.21613194" z3="7.71522045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27954574" y3="0.49988836" z3="8.22086823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91578855" y3="-0.48964225" z3="7.89330501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57311101" y3="0.39371865" z3="9.28240966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15224814" y3="1.55607185" z3="8.15511422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.23618443" y3="2.53580044" z3="7.39391822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64897488" y3="1.68651897" z3="9.15003127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6173,-1.334,2.0029;-3.6208,-1.7924,2.0769;-1.9199,-2.1103,1.6366;-2.672,-.5398,1.2336;-2.18,-.7712,3.3532;-1.1569,-.3541,3.2648;-2.1338,-1.5835,4.0982;-3.1211,.3067,3.8933;-4.1347,-.1212,3.9834;-3.1844,1.138,3.1625;-2.6986,.8545,5.2513;-3.3024,1.7409,5.5411;-1.6515,1.2119,5.2094;-2.8474,-.1372,6.4084;-2.253,-.6166,8.8259;-3.2322,-1.0437,9.1222;-1.8841,-.0594,9.7117;-1.315,-1.8021,8.5439;-1.7472,-2.3655,7.6985;-1.3087,-2.4804,9.421;.1169,-1.3924,8.1958;.6055,-.9411,9.086;.0731,-.597,7.4306;.9929,-2.529,7.6604;1.9836,-2.1218,7.3848;.543,-2.9098,6.7226;1.1853,-3.6924,8.6331;1.5892,-3.3396,9.5987;.23,-4.2024,8.8412;1.8839,-4.4486,8.2253;-3.4189,-1.2335,6.2245;-2.4312,.345,7.6747;-1.7614,1.2128,7.6565;-6.3103,.6848,5.8819;-5.5681,1.4147,5.5246;-7.2529,.839,5.3268;-5.9219,-.3252,5.6571;-6.5121,.861,7.387;-6.8027,1.9067,7.5968;-7.3508,.2161,7.7152;-5.2795,.4999,8.2209;-4.9158,-.4896,7.8933;-5.5731,.3937,9.2824;-4.1522,1.5561,8.1551;-4.2362,2.5358,7.3939;-3.649,1.6865,9.15;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724372767004</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004002784436 0.000897591222 0.024791713204 0.008511252265</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045540361 -0.001931028 0.000282659 0.000506927 0.000737083 0.000873729 0.001161486 0.002144873 0.002577715 0.002939442 0.004425146 0.005452023 0.006091647 0.006651479 0.006929461 0.009866756 0.010619827 0.011136986 0.014237814 0.015307544 0.018532244 0.019894298 0.021060936 0.023501136 0.025727765 0.026146365 0.026852662 0.030385376 0.031819356 0.035390997 0.036796197 0.039539636 0.043850744 0.046185095 0.047679150 0.050187341 0.050685076 0.051108950 0.052532434 0.053024458 0.053423963 0.058137027 0.059529083 0.061080049 0.063395048 0.066270440 0.067587604 0.068292471 0.072695965 0.076748512 0.078002412 0.079967112 0.081172302 0.081575631 0.087210591 0.089443328 0.092988077 0.093807777 0.097800849 0.109117832 0.111040874 0.113103368 0.115123063 0.118168059 0.120780756 0.129447358 0.131127743 0.134374779 0.145992293 0.148088850 0.152373368 0.153819955 0.156829642 0.161885701 0.162798135 0.172227867 0.178963363 0.182060550 0.184540462 0.190674501 0.208494425 0.211139114 0.217682902 0.225791877 0.236428741 0.248759016 0.259476651 0.262554645 0.287049176 0.304936489 0.310170023 0.325079350 0.354262233 0.419745390 0.438093419 0.486034378 0.533659706 0.574510914 0.587271440 0.636352193 0.652804796 0.686188141 0.705551787 0.756719846 0.768393928 0.775985036 0.783997751 0.785517881 0.789923328 0.804948201 0.816413307 0.821271523 0.826016486 0.829297276 0.851783374 0.854901148 0.871182264 0.872649091 0.883294068 0.893396141 0.898924616 0.913846626 0.920266328 0.948288803 0.962525227 0.975301054 0.979191889 0.984035185 1.015182992 1.063574197 1.382033054 1.485731565</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">133</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.63005132" y3="-1.32876453" z3="1.99356248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.63928276" y3="-1.77448223" z3="2.06034491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.94067874" y3="-2.11225462" z3="1.62753798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67049264" y3="-0.53108571" z3="1.22749413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.19283197" y3="-0.77705133" z3="3.34834642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.16505815" y3="-0.37069279" z3="3.26621004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.15859644" y3="-1.59285596" z3="4.08989542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12448828" y3="0.3084519" z3="3.88966784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1420277" y3="-0.11026037" z3="3.97814041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17987017" y3="1.141507" z3="3.16005614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69814058" y3="0.85137902" z3="5.24851079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29879132" y3="1.73922476" z3="5.54042367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64996718" y3="1.20536744" z3="5.20566933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84848203" y3="-0.14152061" z3="6.40437726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25431623" y3="-0.62546895" z3="8.82101095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23107409" y3="-1.05737869" z3="9.10627507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.89140396" y3="-0.07101668" z3="9.71085697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30961386" y3="-1.8068188" z3="8.53981373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.73782727" y3="-2.37188098" z3="7.69087076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3070419" y3="-2.48587247" z3="9.41659787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.12072023" y3="-1.39161891" z3="8.20373269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.59685298" y3="-0.94065537" z3="9.09758833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.07826972" y3="-0.59512472" z3="7.43903344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.00330068" y3="-2.52662209" z3="7.67391984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="1.99661169" y3="-2.1176543" z3="7.40415778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.56376518" y3="-2.90918203" z3="6.73408271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.19598572" y3="-3.69044308" z3="8.64622279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.60116499" y3="-3.33394296" z3="9.61579961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.24187761" y3="-4.20618779" z3="8.85401852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.90308407" y3="-4.43574094" z3="8.24728885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42330593" y3="-1.2363315" z3="6.21998969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.43030512" y3="0.33827637" z3="7.67125451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75835782" y3="1.20449173" z3="7.65375187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31226006" y3="0.69724869" z3="5.88449783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56672486" y3="1.42416799" z3="5.52618584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25901337" y3="0.85638081" z3="5.32700665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.92913932" y3="-0.3089243" z3="5.65190882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51340595" y3="0.86296884" z3="7.38775236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.8050373" y3="1.90682179" z3="7.60520884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35530187" y3="0.21970481" z3="7.71293593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27849803" y3="0.4986146" z3="8.21601396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91425319" y3="-0.49239545" z3="7.88398518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57256739" y3="0.39022568" z3="9.28174948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14971085" y3="1.5526071" z3="8.1534343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.23173094" y3="2.53286482" z3="7.39250949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64595312" y3="1.68238103" z3="9.14819677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6301,-1.3288,1.9936;-3.6393,-1.7745,2.0603;-1.9407,-2.1123,1.6275;-2.6705,-.5311,1.2275;-2.1928,-.7771,3.3483;-1.1651,-.3707,3.2662;-2.1586,-1.5929,4.0899;-3.1245,.3085,3.8897;-4.142,-.1103,3.9781;-3.1799,1.1415,3.1601;-2.6981,.8514,5.2485;-3.2988,1.7392,5.5404;-1.65,1.2054,5.2057;-2.8485,-.1415,6.4044;-2.2543,-.6255,8.821;-3.2311,-1.0574,9.1063;-1.8914,-.071,9.7109;-1.3096,-1.8068,8.5398;-1.7378,-2.3719,7.6909;-1.307,-2.4859,9.4166;.1207,-1.3916,8.2037;.5969,-.9407,9.0976;.0783,-.5951,7.439;1.0033,-2.5266,7.6739;1.9966,-2.1177,7.4042;.5638,-2.9092,6.7341;1.196,-3.6904,8.6462;1.6012,-3.3339,9.6158;.2419,-4.2062,8.854;1.9031,-4.4357,8.2473;-3.4233,-1.2363,6.22;-2.4303,.3383,7.6713;-1.7584,1.2045,7.6538;-6.3123,.6972,5.8845;-5.5667,1.4242,5.5262;-7.259,.8564,5.327;-5.9291,-.3089,5.6519;-6.5134,.863,7.3878;-6.805,1.9068,7.6052;-7.3553,.2197,7.7129;-5.2785,.4986,8.216;-4.9143,-.4924,7.884;-5.5726,.3902,9.2817;-4.1497,1.5526,8.1534;-4.2317,2.5329,7.3925;-3.646,1.6824,9.1482;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724370661148</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007186810530 0.001226119259 0.023353062610 0.008512107801</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045551069 -0.003447621 0.000311052 0.000507649 0.000737146 0.000888515 0.001160622 0.002146188 0.002579319 0.002940075 0.004424865 0.005459732 0.006102069 0.006656173 0.006928717 0.009868404 0.010706063 0.011144019 0.014236486 0.015310676 0.018556709 0.020026672 0.021060343 0.023506251 0.025728860 0.026143232 0.026863226 0.030387357 0.031924170 0.035600012 0.036901383 0.039539967 0.043858921 0.046188053 0.047681799 0.050186818 0.050689842 0.051123198 0.052532592 0.053026824 0.053436836 0.058160082 0.059631106 0.061089724 0.063401784 0.066273814 0.067810176 0.068371960 0.072700400 0.076748087 0.078147459 0.079973775 0.081173473 0.081576022 0.087249065 0.089450796 0.092990383 0.093807332 0.097979299 0.109380830 0.111991928 0.113103897 0.115896508 0.118168522 0.120912557 0.129521673 0.131155454 0.134929496 0.146050876 0.148209058 0.152376438 0.153833025 0.156863898 0.161979306 0.163016943 0.172491730 0.178967030 0.182637842 0.184544508 0.190939444 0.208511311 0.211144982 0.217679001 0.225836503 0.236471280 0.248791792 0.259579164 0.262558216 0.287937992 0.305056699 0.310534949 0.325122627 0.354273502 0.419745505 0.438175424 0.486073038 0.533680400 0.574519971 0.587352999 0.636356994 0.652874851 0.686274282 0.705764823 0.756719240 0.768521944 0.777089267 0.784045669 0.785623686 0.789947091 0.804948016 0.816466194 0.821340200 0.826016565 0.829672875 0.851945347 0.857776127 0.871252210 0.873137669 0.883454100 0.893396674 0.899090733 0.913935367 0.920267169 0.948552757 0.962903865 0.975685267 0.979461103 0.984465971 1.015200872 1.063923795 1.382066900 1.485742836</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">134</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.6436025" y3="-1.32290584" z3="1.98479871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.65786068" y3="-1.75761468" z3="2.04626806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.96173859" y3="-2.11263416" z3="1.61846478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67234511" y3="-0.52233789" z3="1.22135949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.20513747" y3="-0.78077005" z3="3.34301658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.17369527" y3="-0.38327344" z3="3.26518491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.18028947" y3="-1.59943594" z3="4.08149829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.12844651" y3="0.31057127" z3="3.88639112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.14903126" y3="-0.10072337" z3="3.97393386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1778494" y3="1.14520626" z3="3.15819289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69791282" y3="0.84891917" z3="5.24588874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29522556" y3="1.73827625" z3="5.53946013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64869922" y3="1.19959443" z3="5.20151518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84874372" y3="-0.14561859" z3="6.40076154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2541405" y3="-0.63495029" z3="8.81535095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23494125" y3="-1.06821685" z3="9.09665388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.90010108" y3="-0.08233016" z3="9.70836689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30714081" y3="-1.81589521" z3="8.53670717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.72633092" y3="-2.37496488" z3="7.68188393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30899148" y3="-2.50054551" z3="9.40738115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.12585267" y3="-1.39625065" z3="8.21110156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.59754495" y3="-0.94322726" z3="9.10990174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.08426913" y3="-0.59890277" z3="7.44722796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.01995952" y3="-2.52344234" z3="7.68899674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.00995212" y3="-2.10644621" z3="7.42343704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.58711824" y3="-2.91156759" z3="6.74702316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.21164536" y3="-3.68223397" z3="8.66694812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.59726604" y3="-3.32382628" z3="9.63441657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.25750067" y3="-4.20006228" z3="8.86433142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.92013647" y3="-4.43767092" z3="8.26542393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42787662" y3="-1.23829845" z3="6.21555757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42470375" y3="0.32954965" z3="7.66625515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7544261" y3="1.19719685" z3="7.65098348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31765777" y3="0.70614375" z3="5.87983878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57259375" y3="1.43452331" z3="5.52517721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26113152" y3="0.87078855" z3="5.33177197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9349041" y3="-0.30715209" z3="5.64676804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51460535" y3="0.86900413" z3="7.38773463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80526319" y3="1.91377262" z3="7.60889301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35623653" y3="0.22507016" z3="7.71383202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27916512" y3="0.49824667" z3="8.21457032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91595563" y3="-0.49041054" z3="7.87721455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56593838" y3="0.38360901" z3="9.27476653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.15112547" y3="1.55269303" z3="8.15303415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.22887837" y3="2.53286451" z3="7.39396394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.64252873" y3="1.67613482" z3="9.14564039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6436,-1.3229,1.9848;-3.6579,-1.7576,2.0463;-1.9617,-2.1126,1.6185;-2.6723,-.5223,1.2214;-2.2051,-.7808,3.343;-1.1737,-.3833,3.2652;-2.1803,-1.5994,4.0815;-3.1284,.3106,3.8864;-4.149,-.1007,3.9739;-3.1778,1.1452,3.1582;-2.6979,.8489,5.2459;-3.2952,1.7383,5.5395;-1.6487,1.1996,5.2015;-2.8487,-.1456,6.4008;-2.2541,-.635,8.8154;-3.2349,-1.0682,9.0967;-1.9001,-.0823,9.7084;-1.3071,-1.8159,8.5367;-1.7263,-2.375,7.6819;-1.309,-2.5005,9.4074;.1259,-1.3963,8.2111;.5975,-.9432,9.1099;.0843,-.5989,7.4472;1.02,-2.5234,7.689;2.01,-2.1064,7.4234;.5871,-2.9116,6.747;1.2116,-3.6822,8.6669;1.5973,-3.3238,9.6344;.2575,-4.2001,8.8643;1.9201,-4.4377,8.2654;-3.4279,-1.2383,6.2156;-2.4247,.3295,7.6663;-1.7544,1.1972,7.651;-6.3177,.7061,5.8798;-5.5726,1.4345,5.5252;-7.2611,.8708,5.3318;-5.9349,-.3072,5.6468;-6.5146,.869,7.3877;-6.8053,1.9138,7.6089;-7.3562,.2251,7.7138;-5.2792,.4982,8.2146;-4.916,-.4904,7.8772;-5.5659,.3836,9.2748;-4.1511,1.5527,8.153;-4.2289,2.5329,7.394;-3.6425,1.6761,9.1456;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724349155271</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008400134737 0.001656238780 0.031361869917 0.008513292671</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045821451 -0.005618140 0.000327183 0.000508064 0.000743135 0.000892605 0.001164039 0.002168740 0.002580774 0.002942208 0.004430686 0.005470812 0.006126261 0.006655504 0.006932489 0.009877556 0.010735222 0.011156670 0.014237797 0.015311469 0.018600251 0.020175861 0.021064155 0.023558919 0.025730939 0.026142863 0.026863207 0.030387557 0.031970908 0.035686565 0.037112653 0.039540270 0.043882625 0.046194126 0.047682252 0.050191068 0.050728933 0.051154816 0.052537818 0.053028254 0.053436680 0.058164277 0.059643631 0.061335840 0.063420715 0.066287304 0.068169284 0.068506200 0.072722843 0.076751651 0.078349773 0.079973919 0.081198004 0.081576459 0.087431873 0.089450599 0.093009353 0.093810942 0.098505788 0.109503295 0.112627795 0.113103657 0.118122898 0.118246504 0.121267850 0.129522543 0.131172270 0.136794852 0.146082187 0.148444563 0.152415457 0.153844362 0.156913809 0.162017448 0.163323711 0.172665604 0.178969023 0.182955073 0.184548475 0.191516553 0.208519862 0.211148803 0.217678997 0.225854863 0.236494717 0.248816521 0.259602820 0.262568611 0.289581968 0.305262091 0.311359861 0.325197658 0.354339473 0.419761650 0.438202857 0.486081362 0.533703744 0.574535579 0.587474024 0.636363311 0.652973959 0.686491673 0.706020629 0.756722421 0.768885970 0.778610525 0.784044956 0.785639826 0.789964591 0.804972078 0.816487544 0.821532466 0.826036564 0.830643553 0.852059635 0.862526261 0.871335124 0.874645466 0.884504159 0.893397239 0.899986118 0.914097865 0.920268934 0.948954309 0.963106131 0.975816654 0.979739657 0.985343047 1.015213374 1.065197689 1.382149603 1.485773929</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">135</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.65789544" y3="-1.31704103" z3="1.9761803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.67615001" y3="-1.74276342" z3="2.03483314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-1.98264696" y3="-2.11184292" z3="1.60869546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.67824032" y3="-0.51413466" z3="1.21496168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.21651723" y3="-0.78293095" z3="3.3366068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.18226139" y3="-0.39245626" z3="3.26083346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.1980228" y3="-1.60405275" z3="4.07236444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13236209" y3="0.31281472" z3="3.88342933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.15542133" y3="-0.09223659" z3="3.9711966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1775775" y3="1.14922917" z3="3.1570746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69669914" y3="0.84616593" z3="5.24325798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.29031331" y3="1.73692084" z3="5.5397846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64635461" y3="1.1932863" z3="5.19691788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84787741" y3="-0.15037326" z3="6.39634604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25782163" y3="-0.64573703" z3="8.81008457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23630968" y3="-1.0835517" z3="9.081508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.90725246" y3="-0.09367015" z3="9.70734097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30463845" y3="-1.82065719" z3="8.53235345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.71968986" y3="-2.37914911" z3="7.67258695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30983416" y3="-2.50838549" z3="9.40259369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.12907237" y3="-1.3949905" z3="8.2173323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.587411" y3="-0.93929573" z3="9.11786344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.09370026" y3="-0.5999372" z3="7.45165161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.02938203" y3="-2.52292724" z3="7.7020633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.02145712" y3="-2.10394787" z3="7.44409701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.60455032" y3="-2.9130566" z3="6.75753889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.2199424" y3="-3.68142617" z3="8.68046748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61289238" y3="-3.31639528" z3="9.65474144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.26853222" y3="-4.20507682" z3="8.87861392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.93920756" y3="-4.41886048" z3="8.2967858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.42833167" y3="-1.24252084" z3="6.20950693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42309767" y3="0.32153557" z3="7.66268675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.75181823" y3="1.18797916" z3="7.65072702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3197049" y3="0.71542803" z3="5.88255526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57288978" y3="1.44228207" z3="5.52708929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2678192" y3="0.8845433" z3="5.33097278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.94555072" y3="-0.29086618" z3="5.64081482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51288561" y3="0.87327999" z3="7.38841497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.79612179" y3="1.91499633" z3="7.6145105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35279544" y3="0.22887579" z3="7.7138456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.277112" y3="0.49616944" z3="8.2081038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91921132" y3="-0.49113331" z3="7.86620541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56814653" y3="0.37991505" z3="9.27456128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14806989" y3="1.54797841" z3="8.15074883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.2239808" y3="2.53021433" z3="7.39335194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63869515" y3="1.66825854" z3="9.14368795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6579,-1.317,1.9762;-3.6762,-1.7428,2.0348;-1.9826,-2.1118,1.6087;-2.6782,-.5141,1.215;-2.2165,-.7829,3.3366;-1.1823,-.3925,3.2608;-2.198,-1.6041,4.0724;-3.1324,.3128,3.8834;-4.1554,-.0922,3.9712;-3.1776,1.1492,3.1571;-2.6967,.8462,5.2433;-3.2903,1.7369,5.5398;-1.6464,1.1933,5.1969;-2.8479,-.1504,6.3963;-2.2578,-.6457,8.8101;-3.2363,-1.0836,9.0815;-1.9073,-.0937,9.7073;-1.3046,-1.8207,8.5324;-1.7197,-2.3791,7.6726;-1.3098,-2.5084,9.4026;.1291,-1.395,8.2173;.5874,-.9393,9.1179;.0937,-.5999,7.4517;1.0294,-2.5229,7.7021;2.0215,-2.1039,7.4441;.6046,-2.9131,6.7575;1.2199,-3.6814,8.6805;1.6129,-3.3164,9.6547;.2685,-4.2051,8.8786;1.9392,-4.4189,8.2968;-3.4283,-1.2425,6.2095;-2.4231,.3215,7.6627;-1.7518,1.188,7.6507;-6.3197,.7154,5.8826;-5.5729,1.4423,5.5271;-7.2678,.8845,5.331;-5.9456,-.2909,5.6408;-6.5129,.8733,7.3884;-6.7961,1.915,7.6145;-7.3528,.2289,7.7138;-5.2771,.4962,8.2081;-4.9192,-.4911,7.8662;-5.5681,.3799,9.2746;-4.1481,1.548,8.1507;-4.224,2.5302,7.3934;-3.6387,1.6683,9.1437;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724350087708</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009028546890 0.001781566654 0.022333690319 0.008511655196</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045955985 -0.005537810 0.000332665 0.000510131 0.000749154 0.000910493 0.001163620 0.002184692 0.002580160 0.002944095 0.004432538 0.005494924 0.006154342 0.006728923 0.006931181 0.009898723 0.010737757 0.011160314 0.014254921 0.015311444 0.018606310 0.020203946 0.021061496 0.023588181 0.025732537 0.026146570 0.026863272 0.030387863 0.031970198 0.035685956 0.037196422 0.039540544 0.043887968 0.046231667 0.047688015 0.050192433 0.050739814 0.051154315 0.052563618 0.053030822 0.053464364 0.058164451 0.059658753 0.061625059 0.063436970 0.066292292 0.068340059 0.068766223 0.072798107 0.076755362 0.078488675 0.079983819 0.081211836 0.081577110 0.087516657 0.089455511 0.093027636 0.093817180 0.099030840 0.109580829 0.112710267 0.113103345 0.118167075 0.119754956 0.122334347 0.129538515 0.131172059 0.140846221 0.146183842 0.148824033 0.152581404 0.153870483 0.157017409 0.162055638 0.163774810 0.172725645 0.178972550 0.183027783 0.184559436 0.192301924 0.208520541 0.211197458 0.217678625 0.225854231 0.236514910 0.248840192 0.259610003 0.262587802 0.291035820 0.305426121 0.312170609 0.325274556 0.354423805 0.419818255 0.438218733 0.486082360 0.533739443 0.574564651 0.587486420 0.636389963 0.653015849 0.686681694 0.706193627 0.756727202 0.769174833 0.780279172 0.784079087 0.785642192 0.789971837 0.804986616 0.816512185 0.821855866 0.826052454 0.831628393 0.852093001 0.866180393 0.871374447 0.876650829 0.888094576 0.893409790 0.903626262 0.914419113 0.920270576 0.949878725 0.963105785 0.975812091 0.979801812 0.986522293 1.015224673 1.067733642 1.382184406 1.485788968</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">136</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.6732522" y3="-1.31249683" z3="1.96765415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.69480366" y3="-1.730474" z3="2.02512565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.00425333" y3="-2.11157237" z3="1.59812023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.68731342" y3="-0.50746133" z3="1.20854375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.22770797" y3="-0.78532048" z3="3.32948091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.19105279" y3="-0.40109322" z3="3.25415876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21397706" y3="-1.60866686" z3="4.06289185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.13643739" y3="0.31452236" z3="3.88009061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16141332" y3="-0.08530431" z3="3.96942248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17873963" y3="1.15239786" z3="3.15517968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69557397" y3="0.84350733" z3="5.240013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.28492355" y3="1.73627986" z3="5.53880928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64379265" y3="1.1860095" z3="5.19203285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.84898878" y3="-0.15455042" z3="6.391715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.25848018" y3="-0.65673318" z3="8.80293012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.23935295" y3="-1.09768094" z3="9.06797354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.91673444" y3="-0.10862221" z3="9.7042969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30124469" y3="-1.82858989" z3="8.52713403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.70707103" y3="-2.38484379" z3="7.66313373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31060152" y3="-2.51895085" z3="9.39448878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.13166123" y3="-1.39678787" z3="8.22466514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.58373996" y3="-0.93870687" z3="9.13021673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.0972741" y3="-0.60030819" z3="7.45932316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.04245883" y3="-2.51862789" z3="7.71827882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.0328225" y3="-2.09409438" z3="7.46513001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.62688401" y3="-2.91316885" z3="6.77214059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.23604835" y3="-3.67253711" z3="8.70259929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.60763406" y3="-3.30763214" z3="9.67339216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.28556646" y3="-4.20059241" z3="8.89263182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.95818305" y3="-4.42012187" z3="8.31131837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43383197" y3="-1.24431339" z3="6.20342248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42063452" y3="0.31291286" z3="7.65774057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74860734" y3="1.17901886" z3="7.64794503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32195773" y3="0.72731522" z3="5.88016395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.57016851" y3="1.45045973" z3="5.5291668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26748404" y3="0.90252012" z3="5.33405836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.94548601" y3="-0.28554997" z3="5.63623852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51469371" y3="0.8768979" z3="7.38751266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.80035302" y3="1.92256838" z3="7.61682425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35919492" y3="0.23543421" z3="7.71080037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27823277" y3="0.49663476" z3="8.20744004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.91680027" y3="-0.49198163" z3="7.86106095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56401317" y3="0.37410214" z3="9.26849171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14718197" y3="1.54636713" z3="8.15294338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.21865951" y3="2.52921276" z3="7.39750917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63322739" y3="1.66107851" z3="9.1436786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.6733,-1.3125,1.9677;-3.6948,-1.7305,2.0251;-2.0043,-2.1116,1.5981;-2.6873,-.5075,1.2085;-2.2277,-.7853,3.3295;-1.1911,-.4011,3.2542;-2.214,-1.6087,4.0629;-3.1364,.3145,3.8801;-4.1614,-.0853,3.9694;-3.1787,1.1524,3.1552;-2.6956,.8435,5.24;-3.2849,1.7363,5.5388;-1.6438,1.186,5.192;-2.849,-.1546,6.3917;-2.2585,-.6567,8.8029;-3.2394,-1.0977,9.068;-1.9167,-.1086,9.7043;-1.3012,-1.8286,8.5271;-1.7071,-2.3848,7.6631;-1.3106,-2.519,9.3945;.1317,-1.3968,8.2247;.5837,-.9387,9.1302;.0973,-.6003,7.4593;1.0425,-2.5186,7.7183;2.0328,-2.0941,7.4651;.6269,-2.9132,6.7721;1.236,-3.6725,8.7026;1.6076,-3.3076,9.6734;.2856,-4.2006,8.8926;1.9582,-4.4201,8.3113;-3.4338,-1.2443,6.2034;-2.4206,.3129,7.6577;-1.7486,1.179,7.6479;-6.322,.7273,5.8802;-5.5702,1.4505,5.5292;-7.2675,.9025,5.3341;-5.9455,-.2855,5.6362;-6.5147,.8769,7.3875;-6.8004,1.9226,7.6168;-7.3592,.2354,7.7108;-5.2782,.4966,8.2074;-4.9168,-.492,7.8611;-5.564,.3741,9.2685;-4.1472,1.5464,8.1529;-4.2187,2.5292,7.3975;-3.6332,1.6611,9.1437;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724395475742</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008723045772 0.001466403385 0.033024857094 0.008511746062</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046146503 -0.003543978 0.000343709 0.000511086 0.000756378 0.000920716 0.001174629 0.002209239 0.002580992 0.002944201 0.004433528 0.005503101 0.006158282 0.006718381 0.006933663 0.009902242 0.010744201 0.011161873 0.014248891 0.015312217 0.018616835 0.020203718 0.021062382 0.023598615 0.025734649 0.026161880 0.026863445 0.030388162 0.032013975 0.035701564 0.037205750 0.039541459 0.043892387 0.046292500 0.047708893 0.050192445 0.050740634 0.051162668 0.052584754 0.053032158 0.053497767 0.058163837 0.059687906 0.061735386 0.063440772 0.066294066 0.068407182 0.068881224 0.072817041 0.076755265 0.078529016 0.079990752 0.081216510 0.081577225 0.087518835 0.089472027 0.093049310 0.093819624 0.099325248 0.109602910 0.112715806 0.113103265 0.118167716 0.119951720 0.123048946 0.129568736 0.131174273 0.144046838 0.146681789 0.149495248 0.152917936 0.153946219 0.157250012 0.162080786 0.164373551 0.172720481 0.178974905 0.183103434 0.184564026 0.192579536 0.208541209 0.211358011 0.217678475 0.225864826 0.236520553 0.248853395 0.259628752 0.262597194 0.291890497 0.305520828 0.312729537 0.325364660 0.354542300 0.419910143 0.438297191 0.486102376 0.533758803 0.574596372 0.587486339 0.636436698 0.653016319 0.686741065 0.706242867 0.756728117 0.769214301 0.781013599 0.784138737 0.785665130 0.789975160 0.804987241 0.816560525 0.822045946 0.826070089 0.832423980 0.852112908 0.867296886 0.871427499 0.877257564 0.890617109 0.893419322 0.909625764 0.915230067 0.920283878 0.950739040 0.963522417 0.975910883 0.979806678 0.987021279 1.015499988 1.070472823 1.382202029 1.485789705</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">137</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.6890032" y3="-1.30755148" z3="1.95926633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.71180495" y3="-1.72139541" z3="2.01869025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.024426" y3="-2.10832944" z3="1.58573392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.70204753" y3="-0.50094639" z3="1.20222401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.23755607" y3="-0.78543987" z3="3.32104853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.19978381" y3="-0.40511595" z3="3.24351569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2247882" y3="-1.61047337" z3="4.05226301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14055389" y3="0.3164305" z3="3.8769775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.16689642" y3="-0.07950636" z3="3.96738888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1812516" y3="1.15628562" z3="3.15430811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69475299" y3="0.8403965" z3="5.23736046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.27904828" y3="1.73568296" z3="5.53855907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.64128304" y3="1.17764303" z3="5.18824047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85047391" y3="-0.15929814" z3="6.38762332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26221839" y3="-0.66734846" z3="8.79814479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.24279701" y3="-1.11184388" z3="9.05574032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.92676181" y3="-0.12069137" z3="9.70300068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.30021441" y3="-1.83656819" z3="8.5230066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69992661" y3="-2.38959976" z3="7.65321386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31323056" y3="-2.53203282" z3="9.38576594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1351735" y3="-1.39920728" z3="8.23042849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.57576647" y3="-0.9397047" z3="9.13906066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.10184543" y3="-0.60350418" z3="7.46459521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0552664" y3="-2.51675316" z3="7.73135053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.04472597" y3="-2.08673002" z3="7.48344933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.64602812" y3="-2.9165825" z3="6.78331418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.24533957" y3="-3.6679665" z3="8.7180701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61915782" y3="-3.29397967" z3="9.69368249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.2977302" y3="-4.20125871" z3="8.90552032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.97621744" y3="-4.40320633" z3="8.34434322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.43736769" y3="-1.2475295" z3="6.19742128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42039863" y3="0.30486495" z3="7.65445631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74709872" y3="1.17005674" z3="7.64622383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31961093" y3="0.73523732" z3="5.87880705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56707963" y3="1.45839351" z3="5.52877234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26427861" y3="0.91920203" z3="5.33342292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95457123" y3="-0.27515165" z3="5.6308838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.51163848" y3="0.88444983" z3="7.3883373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.79082874" y3="1.92516758" z3="7.62179584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35667831" y3="0.24381298" z3="7.70933484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2770711" y3="0.49366255" z3="8.20476826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92422386" y3="-0.49162164" z3="7.85399594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56401268" y3="0.36860789" z3="9.26815347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.14417198" y3="1.54155015" z3="8.15206348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.21288522" y3="2.52712294" z3="7.39987994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.63048522" y3="1.65122585" z3="9.14368535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.689,-1.3076,1.9593;-3.7118,-1.7214,2.0187;-2.0244,-2.1083,1.5857;-2.702,-.5009,1.2022;-2.2376,-.7854,3.321;-1.1998,-.4051,3.2435;-2.2248,-1.6105,4.0523;-3.1406,.3164,3.877;-4.1669,-.0795,3.9674;-3.1813,1.1563,3.1543;-2.6948,.8404,5.2374;-3.279,1.7357,5.5386;-1.6413,1.1776,5.1882;-2.8505,-.1593,6.3876;-2.2622,-.6673,8.7981;-3.2428,-1.1118,9.0557;-1.9268,-.1207,9.703;-1.3002,-1.8366,8.523;-1.6999,-2.3896,7.6532;-1.3132,-2.532,9.3858;.1352,-1.3992,8.2304;.5758,-.9397,9.1391;.1018,-.6035,7.4646;1.0553,-2.5168,7.7314;2.0447,-2.0867,7.4834;.646,-2.9166,6.7833;1.2453,-3.668,8.7181;1.6192,-3.294,9.6937;.2977,-4.2013,8.9055;1.9762,-4.4032,8.3443;-3.4374,-1.2475,6.1974;-2.4204,.3049,7.6545;-1.7471,1.1701,7.6462;-6.3196,.7352,5.8788;-5.5671,1.4584,5.5288;-7.2643,.9192,5.3334;-5.9546,-.2752,5.6309;-6.5116,.8844,7.3883;-6.7908,1.9252,7.6218;-7.3567,.2438,7.7093;-5.2771,.4937,8.2048;-4.9242,-.4916,7.854;-5.564,.3686,9.2682;-4.1442,1.5416,8.1521;-4.2129,2.5271,7.3999;-3.6305,1.6512,9.1437;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724431562193</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005679136673 0.001099529046 0.021149651016 0.008511804392</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046091176 -0.002235532 0.000334604 0.000513833 0.000761246 0.000933182 0.001173325 0.002222233 0.002579047 0.002945124 0.004442879 0.005510931 0.006162389 0.006713644 0.006933405 0.009903792 0.010746246 0.011162686 0.014258987 0.015340186 0.018655788 0.020219607 0.021064699 0.023597557 0.025737181 0.026195951 0.026868916 0.030388438 0.032070561 0.035737675 0.037208972 0.039543005 0.043908858 0.046342307 0.047730004 0.050192664 0.050747863 0.051199719 0.052588142 0.053036586 0.053514544 0.058164038 0.059705362 0.061727877 0.063459834 0.066294087 0.068445877 0.068903287 0.072820033 0.076755703 0.078542301 0.080005261 0.081225604 0.081577358 0.087613444 0.089525392 0.093100141 0.093822976 0.099471981 0.109654330 0.112726990 0.113104631 0.118175959 0.119948662 0.123216361 0.129592055 0.131177252 0.144861915 0.147445477 0.150109041 0.153256028 0.154104349 0.157643721 0.162109859 0.164872949 0.172862435 0.178990522 0.183467421 0.184579121 0.192625173 0.208557601 0.211468483 0.217680655 0.225927016 0.236522385 0.248911458 0.259708731 0.262609856 0.291932346 0.305542318 0.312772972 0.325409564 0.354575435 0.419984486 0.438507749 0.486117466 0.533765971 0.574640931 0.587615967 0.636497125 0.653033453 0.686743695 0.706243915 0.756728214 0.769220030 0.781275168 0.784198595 0.785780920 0.789978696 0.805039438 0.816697761 0.822136329 0.826072343 0.832667337 0.852114621 0.867449852 0.871451772 0.877254705 0.891253639 0.893482734 0.912513630 0.917022300 0.920299348 0.951046007 0.964844524 0.976248942 0.980004944 0.987073887 1.015985762 1.072032941 1.382220086 1.485794623</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">138</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.70652987" y3="-1.3032599" z3="1.95160466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.73024208" y3="-1.71467181" z3="2.01464398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.04557565" y3="-2.10499584" z3="1.57363276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.72076644" y3="-0.49501286" z3="1.19607995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.24783616" y3="-0.78511696" z3="3.31256481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2092378" y3="-0.40760398" z3="3.23149255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23453623" y3="-1.61176898" z3="4.04213479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14543506" y3="0.31818659" z3="3.87429212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17272386" y3="-0.07473538" z3="3.96673509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18565601" y3="1.16011414" z3="3.1540768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69402425" y3="0.83701394" z3="5.23479282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.27344832" y3="1.73428059" z3="5.53946295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6390428" y3="1.16933401" z3="5.18422777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85228568" y3="-0.16431469" z3="6.38303169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26679086" y3="-0.68062176" z3="8.79114872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.24653544" y3="-1.12988731" z3="9.04038218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.9360853" y3="-0.13623069" z3="9.70060002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29802596" y3="-1.8427462" z3="8.51765836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68930912" y3="-2.394583" z3="7.64366649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31343658" y3="-2.54116908" z3="9.37900524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1358694" y3="-1.39836233" z3="8.23786672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.56815823" y3="-0.93551876" z3="9.14988684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1080133" y3="-0.60323054" z3="7.47182684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.06521787" y3="-2.51289185" z3="7.74702122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.0542829" y3="-2.07837616" z3="7.50414823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.66652246" y3="-2.91583601" z3="6.79756173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.26006453" y3="-3.66059883" z3="8.73820522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.61952835" y3="-3.28602702" z3="9.71268125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.31221821" y3="-4.19715835" z3="8.92130826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="1.99519514" y3="-4.39922075" z3="8.36232973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4416024" y3="-1.25086573" z3="6.19108918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42284481" y3="0.2965065" z3="7.65159924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74499095" y3="1.15786841" z3="7.64605159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31918643" y3="0.74642239" z3="5.87853903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56113934" y3="1.46601481" z3="5.53229372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26512751" y3="0.93333013" z3="5.33027016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9538097" y3="-0.26653885" z3="5.62668628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50980772" y3="0.88851169" z3="7.38500304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.78579226" y3="1.93546163" z3="7.61870375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35730197" y3="0.25037153" z3="7.70519955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27637666" y3="0.49423891" z3="8.20132507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9217304" y3="-0.49391625" z3="7.84751277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56472477" y3="0.36551329" z3="9.26392027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.13809069" y3="1.53589115" z3="8.15412387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.20446404" y3="2.52487789" z3="7.40518305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.62452606" y3="1.64177851" z3="9.14631789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7065,-1.3033,1.9516;-3.7302,-1.7147,2.0146;-2.0456,-2.105,1.5736;-2.7208,-.495,1.1961;-2.2478,-.7851,3.3126;-1.2092,-.4076,3.2315;-2.2345,-1.6118,4.0421;-3.1454,.3182,3.8743;-4.1727,-.0747,3.9667;-3.1857,1.1601,3.1541;-2.694,.837,5.2348;-3.2734,1.7343,5.5395;-1.639,1.1693,5.1842;-2.8523,-.1643,6.383;-2.2668,-.6806,8.7911;-3.2465,-1.1299,9.0404;-1.9361,-.1362,9.7006;-1.298,-1.8427,8.5177;-1.6893,-2.3946,7.6437;-1.3134,-2.5412,9.379;.1359,-1.3984,8.2379;.5682,-.9355,9.1499;.108,-.6032,7.4718;1.0652,-2.5129,7.747;2.0543,-2.0784,7.5041;.6665,-2.9158,6.7976;1.2601,-3.6606,8.7382;1.6195,-3.286,9.7127;.3122,-4.1972,8.9213;1.9952,-4.3992,8.3623;-3.4416,-1.2509,6.1911;-2.4228,.2965,7.6516;-1.745,1.1579,7.6461;-6.3192,.7464,5.8785;-5.5611,1.466,5.5323;-7.2651,.9333,5.3303;-5.9538,-.2665,5.6267;-6.5098,.8885,7.385;-6.7858,1.9355,7.6187;-7.3573,.2504,7.7052;-5.2764,.4942,8.2013;-4.9217,-.4939,7.8475;-5.5647,.3655,9.2639;-4.1381,1.5359,8.1541;-4.2045,2.5249,7.4052;-3.6245,1.6418,9.1463;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724447911360</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004411917072 0.000958686421 0.027433896093 0.008510359446</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046076233 -0.001916177 0.000327880 0.000515604 0.000764165 0.000936644 0.001173655 0.002227286 0.002580284 0.002944995 0.004442124 0.005516245 0.006166252 0.006709338 0.006934009 0.009908142 0.010761367 0.011165072 0.014299321 0.015393522 0.018690222 0.020223752 0.021064849 0.023596783 0.025740773 0.026242916 0.026899341 0.030388863 0.032113951 0.035746945 0.037215827 0.039543521 0.043918491 0.046357801 0.047743121 0.050192906 0.050764128 0.051259726 0.052593003 0.053038752 0.053531306 0.058164938 0.059711478 0.061768491 0.063510370 0.066293714 0.068489041 0.068901902 0.072829018 0.076760145 0.078546363 0.080008487 0.081230651 0.081578623 0.087825645 0.089615570 0.093210713 0.093826893 0.099556639 0.109694217 0.112742133 0.113104687 0.118195248 0.119963711 0.123249217 0.129614464 0.131187483 0.144985562 0.147927490 0.150470857 0.153427535 0.154293427 0.158144962 0.162109638 0.165123401 0.173245219 0.179043144 0.184232124 0.184607380 0.192636615 0.208599310 0.211550387 0.217682119 0.226005249 0.236524769 0.248927128 0.259753887 0.262614053 0.291943997 0.305541832 0.312783715 0.325451893 0.354653474 0.420026781 0.438753171 0.486159013 0.533772688 0.574663926 0.587882258 0.636513996 0.653041584 0.686747680 0.706256283 0.756728266 0.769234561 0.781292117 0.784209287 0.785805317 0.789978818 0.805142110 0.816910251 0.822146409 0.826072936 0.832900898 0.852123800 0.867494816 0.871455989 0.877406160 0.891381096 0.893484493 0.913323898 0.918529945 0.920350411 0.951046708 0.966371076 0.976530699 0.980493137 0.987207832 1.016713269 1.072543243 1.382254583 1.485820944</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">139</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.72380308" y3="-1.29952595" z3="1.9451694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.74681185" y3="-1.71151834" z3="2.01445016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.06497171" y3="-2.10027552" z3="1.56154373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.74352966" y3="-0.49012788" z3="1.19111728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.25660922" y3="-0.78320747" z3="3.30392292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.21803833" y3="-0.40685605" z3="3.21726472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.240324" y3="-1.61060937" z3="4.03257676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.14983068" y3="0.32067851" z3="3.87149241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.17766944" y3="-0.07023324" z3="3.9658957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19023922" y3="1.16472306" z3="3.1536921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69358114" y3="0.83429712" z3="5.23233244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26834613" y3="1.73349876" z3="5.54005323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63715743" y3="1.16186489" z3="5.18089364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85450569" y3="-0.16926655" z3="6.37841946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.26921643" y3="-0.69147722" z3="8.78573677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25067369" y3="-1.14386448" z3="9.02973216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.94931859" y3="-0.15013584" z3="9.69782016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29611013" y3="-1.85217604" z3="8.51386497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68033518" y3="-2.40352157" z3="7.6359947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3151921" y3="-2.5529016" z3="9.37249977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.13899931" y3="-1.40154035" z3="8.2436351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.56025012" y3="-0.93728769" z3="9.15897511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1101589" y3="-0.60597206" z3="7.47707351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.07822259" y3="-2.510125" z3="7.76069532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.06501424" y3="-2.0694503" z3="7.52424104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.68568604" y3="-2.91801315" z3="6.80905444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.27095041" y3="-3.65526352" z3="8.75449864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62658308" y3="-3.27435558" z3="9.73191729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.32871574" y3="-4.19953577" z3="8.93258862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.01448623" y3="-4.38465879" z3="8.38976362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.44659304" y3="-1.25353207" z3="6.18408743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42313174" y3="0.28789293" z3="7.64780239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74317985" y3="1.14815833" z3="7.64309194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31439287" y3="0.75429716" z3="5.87378257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55386292" y3="1.47197497" z3="5.53069386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2548389" y3="0.95193891" z3="5.33006518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95803602" y3="-0.25850375" z3="5.62024918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50799" y3="0.89629684" z3="7.38477314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.78088343" y3="1.93843881" z3="7.62286991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35976204" y3="0.26118716" z3="7.70055313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27677447" y3="0.49261158" z3="8.20046223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93065129" y3="-0.49310081" z3="7.84315381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56344908" y3="0.36120988" z3="9.2613904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1348833" y3="1.53220846" z3="8.15372215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.19675435" y3="2.52322111" z3="7.40784427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.62158847" y3="1.6329937" z3="9.14643146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7238,-1.2995,1.9452;-3.7468,-1.7115,2.0145;-2.065,-2.1003,1.5615;-2.7435,-.4901,1.1911;-2.2566,-.7832,3.3039;-1.218,-.4069,3.2173;-2.2403,-1.6106,4.0326;-3.1498,.3207,3.8715;-4.1777,-.0702,3.9659;-3.1902,1.1647,3.1537;-2.6936,.8343,5.2323;-3.2683,1.7335,5.5401;-1.6372,1.1619,5.1809;-2.8545,-.1693,6.3784;-2.2692,-.6915,8.7857;-3.2507,-1.1439,9.0297;-1.9493,-.1501,9.6978;-1.2961,-1.8522,8.5139;-1.6803,-2.4035,7.636;-1.3152,-2.5529,9.3725;.139,-1.4015,8.2436;.5603,-.9373,9.159;.1102,-.606,7.4771;1.0782,-2.5101,7.7607;2.065,-2.0695,7.5242;.6857,-2.918,6.8091;1.271,-3.6553,8.7545;1.6266,-3.2744,9.7319;.3287,-4.1995,8.9326;2.0145,-4.3847,8.3898;-3.4466,-1.2535,6.1841;-2.4231,.2879,7.6478;-1.7432,1.1482,7.6431;-6.3144,.7543,5.8738;-5.5539,1.472,5.5307;-7.2548,.9519,5.3301;-5.958,-.2585,5.6202;-6.508,.8963,7.3848;-6.7809,1.9384,7.6229;-7.3598,.2612,7.7006;-5.2768,.4926,8.2005;-4.9307,-.4931,7.8432;-5.5634,.3612,9.2614;-4.1349,1.5322,8.1537;-4.1968,2.5232,7.4078;-3.6216,1.633,9.1464;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724456853023</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004121373976 0.000949688858 0.022993411716 0.008511996082</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046067403 -0.001941369 0.000322762 0.000516662 0.000765037 0.000949388 0.001172509 0.002226985 0.002582413 0.002944883 0.004441922 0.005516277 0.006166008 0.006719197 0.006935326 0.009915389 0.010777468 0.011185217 0.014314376 0.015473221 0.018714426 0.020224766 0.021065189 0.023600177 0.025742701 0.026314631 0.026942378 0.030388956 0.032159705 0.035749806 0.037230349 0.039543697 0.043917812 0.046362513 0.047747506 0.050193664 0.050769802 0.051287548 0.052591753 0.053040844 0.053539722 0.058165908 0.059713723 0.061855686 0.063601102 0.066294930 0.068511325 0.068906724 0.072852345 0.076764803 0.078550225 0.080012328 0.081235139 0.081579496 0.088041388 0.089779640 0.093445190 0.093840031 0.099636986 0.109720399 0.112739405 0.113106934 0.118203511 0.119983682 0.123251419 0.129638222 0.131212064 0.145006042 0.148224856 0.150614383 0.153467057 0.154360223 0.158594800 0.162113326 0.165199373 0.173665733 0.179180666 0.184537556 0.185401326 0.192829626 0.208660296 0.211559557 0.217681326 0.226102678 0.236529246 0.248953145 0.259810404 0.262620961 0.292117664 0.305543274 0.312821821 0.325504853 0.354691145 0.420052859 0.439010161 0.486175052 0.533773558 0.574689348 0.588195277 0.636516696 0.653041752 0.686748110 0.706296162 0.756728369 0.769242392 0.781294290 0.784209210 0.785843789 0.789979610 0.805366806 0.817221169 0.822149016 0.826077660 0.833084478 0.852125806 0.867494276 0.871522913 0.877810585 0.891385543 0.893503751 0.913697397 0.919399511 0.920446003 0.951093632 0.967692779 0.976620156 0.981140663 0.987648823 1.017533710 1.072825528 1.382324046 1.485836495</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">140</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.74063222" y3="-1.29500856" z3="1.938367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.76281146" y3="-1.70833941" z3="2.01405558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.08356486" y3="-2.09439871" z3="1.5488742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.76652307" y3="-0.48420487" z3="1.18574459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26465718" y3="-0.78053777" z3="3.2948541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.22613583" y3="-0.40517244" z3="3.20256316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24511627" y3="-1.60894845" z3="4.02239561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1534725" y3="0.32364131" z3="3.86850341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18202766" y3="-0.06497703" z3="3.96376294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19356302" y3="1.17017267" z3="3.15368693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69286523" y3="0.83143259" z3="5.23005382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26294928" y3="1.7324476" z3="5.54137889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63497084" y3="1.15412957" z3="5.17811716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85722524" y3="-0.17409027" z3="6.37375463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27563971" y3="-0.70485105" z3="8.77949478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2539695" y3="-1.16251236" z3="9.01241446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.95667063" y3="-0.16418831" z3="9.696869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29512403" y3="-1.85935808" z3="8.50926405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67030915" y3="-2.40933851" z3="7.62739105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31600641" y3="-2.56371831" z3="9.3651617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14006195" y3="-1.40304304" z3="8.24972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.55443818" y3="-0.9345693" z3="9.16772582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11588795" y3="-0.60936423" z3="7.48200083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.0884192" y3="-2.50847847" z3="7.77523301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.07523063" y3="-2.06267454" z3="7.54045413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.70559805" y3="-2.92232994" z3="6.82357575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.28527809" y3="-3.64785583" z3="8.77503713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63252543" y3="-3.262328" z3="9.7512204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.34152565" y3="-4.19460294" z3="8.95277973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.03265386" y3="-4.37924797" z3="8.41182479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45176772" y3="-1.25631339" z3="6.17717541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42686153" y3="0.2796371" z3="7.64545212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.74190801" y3="1.13566002" z3="7.64287431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31532861" y3="0.76524545" z3="5.87509264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55115659" y3="1.48084162" z3="5.53327113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25916991" y3="0.96424753" z3="5.32505283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96078032" y3="-0.24969763" z3="5.61784055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50555266" y3="0.90196167" z3="7.38194867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77266836" y3="1.9498585" z3="7.62017863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35798458" y3="0.26880394" z3="7.69837676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27601281" y3="0.49205556" z3="8.19682223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93197186" y3="-0.49704303" z3="7.83749051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56579326" y3="0.36002478" z3="9.26020818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12844945" y3="1.52481378" z3="8.15316468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.18915921" y3="2.5190282" z3="7.40949509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61678881" y3="1.62364676" z3="9.14716587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7406,-1.295,1.9384;-3.7628,-1.7083,2.0141;-2.0836,-2.0944,1.5489;-2.7665,-.4842,1.1857;-2.2647,-.7805,3.2949;-1.2261,-.4052,3.2026;-2.2451,-1.6089,4.0224;-3.1535,.3236,3.8685;-4.182,-.065,3.9638;-3.1936,1.1702,3.1537;-2.6929,.8314,5.2301;-3.2629,1.7324,5.5414;-1.635,1.1541,5.1781;-2.8572,-.1741,6.3738;-2.2756,-.7049,8.7795;-3.254,-1.1625,9.0124;-1.9567,-.1642,9.6969;-1.2951,-1.8594,8.5093;-1.6703,-2.4093,7.6274;-1.316,-2.5637,9.3652;.1401,-1.403,8.2497;.5544,-.9346,9.1677;.1159,-.6094,7.482;1.0884,-2.5085,7.7752;2.0752,-2.0627,7.5405;.7056,-2.9223,6.8236;1.2853,-3.6479,8.775;1.6325,-3.2623,9.7512;.3415,-4.1946,8.9528;2.0327,-4.3792,8.4118;-3.4518,-1.2563,6.1772;-2.4269,.2796,7.6455;-1.7419,1.1357,7.6429;-6.3153,.7652,5.8751;-5.5512,1.4808,5.5333;-7.2592,.9642,5.3251;-5.9608,-.2497,5.6178;-6.5056,.902,7.3819;-6.7727,1.9499,7.6202;-7.358,.2688,7.6984;-5.276,.4921,8.1968;-4.932,-.497,7.8375;-5.5658,.36,9.2602;-4.1284,1.5248,8.1532;-4.1892,2.519,7.4095;-3.6168,1.6236,9.1472;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724462863773</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004009023667 0.000980158099 0.025186038338 0.008510552966</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046122009 -0.002016215 0.000321687 0.000517165 0.000766496 0.000963911 0.001186388 0.002250565 0.002587151 0.002945990 0.004448257 0.005526810 0.006168549 0.006717629 0.006942769 0.009912653 0.010790627 0.011210628 0.014319479 0.015504713 0.018716935 0.020271502 0.021067377 0.023611402 0.025745686 0.026381665 0.026985117 0.030389724 0.032190282 0.035750749 0.037253680 0.039544154 0.043923465 0.046367599 0.047747578 0.050194375 0.050776881 0.051295124 0.052591757 0.053053743 0.053551934 0.058166089 0.059721086 0.061968749 0.063720693 0.066295019 0.068522754 0.068912937 0.072891524 0.076772839 0.078556392 0.080014183 0.081241467 0.081582238 0.088139513 0.089915163 0.093727759 0.093951121 0.099754533 0.109738321 0.112757461 0.113108284 0.118205075 0.119987333 0.123250689 0.129657897 0.131277025 0.145008933 0.148425736 0.150742370 0.153479295 0.154379311 0.158964364 0.162171362 0.165212177 0.174039592 0.179453421 0.184548626 0.186101047 0.193267516 0.208714672 0.211565460 0.217680985 0.226208627 0.236540084 0.248988798 0.259826609 0.262683391 0.292616669 0.305545186 0.312846145 0.325609430 0.354761751 0.420053461 0.439308360 0.486185764 0.533778577 0.574703567 0.588556010 0.636550109 0.653095227 0.686748787 0.706324106 0.756730794 0.769320014 0.781315106 0.784210288 0.785852497 0.789980525 0.805648037 0.817658183 0.822171040 0.826085483 0.833439997 0.852133082 0.867497078 0.871573807 0.878333346 0.891391473 0.893503466 0.913954786 0.919795557 0.920633118 0.951245453 0.968568073 0.976665944 0.981717737 0.988606043 1.018483088 1.072869888 1.382402141 1.485846846</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">141</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.75816126" y3="-1.29220555" z3="1.9333538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77977227" y3="-1.70625351" z3="2.01576236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.10323328" y3="-2.09110251" z3="1.53905864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.78952394" y3="-0.48065366" z3="1.18138763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.2735556" y3="-0.77832055" z3="3.28706442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23481238" y3="-0.40459486" z3="3.18910404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25170974" y3="-1.60694819" z3="4.01462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15745035" y3="0.327584" z3="3.86512239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18705389" y3="-0.05805765" z3="3.962041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19621432" y3="1.17599117" z3="3.15240437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69244077" y3="0.83005168" z3="5.22704793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25809157" y3="1.73259455" z3="5.54174672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63315304" y3="1.14807314" z3="5.17479502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85990448" y3="-0.17830636" z3="6.36770618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27683204" y3="-0.71764939" z3="8.77118646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25862402" y3="-1.17911711" z3="9.00069986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97396848" y3="-0.18136656" z3="9.69083197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29031369" y3="-1.86686855" z3="8.50563764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65843669" y3="-2.41948154" z3="7.62121145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31392957" y3="-2.57148986" z3="9.36146405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14342182" y3="-1.40321389" z3="8.25671993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54526984" y3="-0.93314168" z3="9.17703008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12039146" y3="-0.60952787" z3="7.48852486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10045548" y3="-2.50485245" z3="7.79074352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.08486296" y3="-2.05436829" z3="7.56564016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.725315" y3="-2.92061241" z3="6.83610011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.29574771" y3="-3.64443801" z3="8.79081976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63561856" y3="-3.25650338" z3="9.76970658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.35789654" y3="-4.19816735" z3="8.96053638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.05104432" y3="-4.36768714" z3="8.43688834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45884678" y3="-1.2573249" z3="6.16814462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42683027" y3="0.27021418" z3="7.64037205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73850104" y3="1.12374163" z3="7.63976124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31341778" y3="0.77225715" z3="5.87048507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5469943" y3="1.48574181" z3="5.53164912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25221792" y3="0.97926101" z3="5.32717122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9660999" y3="-0.24191217" z3="5.61110262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50443653" y3="0.90844595" z3="7.38158971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76835557" y3="1.95293936" z3="7.62445513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36109457" y3="0.2785853" z3="7.69513441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27574523" y3="0.49226823" z3="8.19446841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93619553" y3="-0.4944416" z3="7.83112053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56279272" y3="0.35724723" z3="9.25435293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12368437" y3="1.52126079" z3="8.15311396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17983504" y3="2.51752575" z3="7.41268352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.6117636" y3="1.61528029" z3="9.14732805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7582,-1.2922,1.9334;-3.7798,-1.7063,2.0158;-2.1032,-2.0911,1.5391;-2.7895,-.4807,1.1814;-2.2736,-.7783,3.2871;-1.2348,-.4046,3.1891;-2.2517,-1.6069,4.0146;-3.1575,.3276,3.8651;-4.1871,-.0581,3.962;-3.1962,1.176,3.1524;-2.6924,.8301,5.227;-3.2581,1.7326,5.5417;-1.6332,1.1481,5.1748;-2.8599,-.1783,6.3677;-2.2768,-.7176,8.7712;-3.2586,-1.1791,9.0007;-1.974,-.1814,9.6908;-1.2903,-1.8669,8.5056;-1.6584,-2.4195,7.6212;-1.3139,-2.5715,9.3615;.1434,-1.4032,8.2567;.5453,-.9331,9.177;.1204,-.6095,7.4885;1.1005,-2.5049,7.7907;2.0849,-2.0544,7.5656;.7253,-2.9206,6.8361;1.2957,-3.6444,8.7908;1.6356,-3.2565,9.7697;.3579,-4.1982,8.9605;2.051,-4.3677,8.4369;-3.4588,-1.2573,6.1681;-2.4268,.2702,7.6404;-1.7385,1.1237,7.6398;-6.3134,.7723,5.8705;-5.547,1.4857,5.5316;-7.2522,.9793,5.3272;-5.9661,-.2419,5.6111;-6.5044,.9084,7.3816;-6.7684,1.9529,7.6245;-7.3611,.2786,7.6951;-5.2757,.4923,8.1945;-4.9362,-.4944,7.8311;-5.5628,.3572,9.2544;-4.1237,1.5213,8.1531;-4.1798,2.5175,7.4127;-3.6118,1.6153,9.1473;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724470320188</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003565809593 0.000913680930 0.023165731653 0.008514547704</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046112358 -0.001980388 0.000322688 0.000517162 0.000767762 0.000988759 0.001200947 0.002295994 0.002586958 0.002949334 0.004457189 0.005552799 0.006188837 0.006718722 0.006961821 0.009930323 0.010789998 0.011233500 0.014320941 0.015506568 0.018721840 0.020369820 0.021071754 0.023632897 0.025746885 0.026454242 0.027015908 0.030391120 0.032229158 0.035757515 0.037276666 0.039545053 0.043935765 0.046375062 0.047747653 0.050194518 0.050776313 0.051298249 0.052597146 0.053084475 0.053557240 0.058165815 0.059733392 0.062021468 0.063858492 0.066294805 0.068521310 0.068912970 0.072929791 0.076778602 0.078584266 0.080031393 0.081245015 0.081587301 0.088145736 0.089986516 0.093788309 0.094394634 0.099904464 0.109741625 0.112772329 0.113110284 0.118206689 0.119988209 0.123255816 0.129683103 0.131397043 0.145011766 0.148546538 0.150891054 0.153478433 0.154384759 0.159188371 0.162346376 0.165214976 0.174202321 0.179872100 0.184553651 0.186646452 0.194134612 0.208816894 0.211570177 0.217682748 0.226331416 0.236576322 0.249096072 0.259834332 0.262838261 0.293125310 0.305546047 0.312861873 0.325749522 0.354834016 0.420057731 0.439518022 0.486190268 0.533781580 0.574706754 0.588730567 0.636638351 0.653260244 0.686774350 0.706336233 0.756742467 0.769742341 0.781401225 0.784227416 0.785853053 0.789984617 0.806050623 0.818283379 0.822242617 0.826101989 0.833895448 0.852144254 0.867499436 0.871604964 0.878649280 0.891422592 0.893503308 0.914250014 0.919951578 0.920851024 0.951347926 0.969208948 0.976713413 0.981968462 0.989423029 1.019435979 1.072905685 1.382433718 1.485850131</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">142</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.77352477" y3="-1.28686876" z3="1.92566745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79409545" y3="-1.70191496" z3="2.01347431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.12030906" y3="-2.08444814" z3="1.52619199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81018599" y3="-0.47426043" z3="1.17529679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28137048" y3="-0.77493137" z3="3.27732278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24281103" y3="-0.40232818" z3="3.17451098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25670085" y3="-1.60437596" z3="4.00357592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16085636" y3="0.33114492" z3="3.86119552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1913152" y3="-0.05167021" z3="3.95856391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19866306" y3="1.18213164" z3="3.15158835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69177521" y3="0.82721867" z3="5.22413573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2532186" y3="1.73130272" z3="5.54207025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63119034" y3="1.14095492" z3="5.17131317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86240414" y3="-0.18369883" z3="6.36245635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28353129" y3="-0.72985246" z3="8.7660668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26054063" y3="-1.19665762" z3="8.98101618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97973757" y3="-0.19229478" z3="9.69129408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28999311" y3="-1.87692113" z3="8.50276992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64758487" y3="-2.42913947" z3="7.61545498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31533963" y3="-2.58367608" z3="9.35636598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14526034" y3="-1.40792778" z3="8.2624555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54158555" y3="-0.93349636" z3="9.18554539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1234739" y3="-0.61580874" z3="7.49255479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11206035" y3="-2.5038398" z3="7.80493484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09639677" y3="-2.04745862" z3="7.5800157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.74523708" y3="-2.92650167" z3="6.85029267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.30966035" y3="-3.63657256" z3="8.81202264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64366099" y3="-3.24314329" z3="9.79034063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37080511" y3="-4.19358739" z3="8.98273932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.06897488" y3="-4.3604875" z3="8.46005407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46543993" y3="-1.2599702" z3="6.16046627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42769668" y3="0.26051631" z3="7.63643005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73654679" y3="1.11186079" z3="7.63726529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31494205" y3="0.78337267" z3="5.87238046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5440031" y3="1.4927904" z3="5.53320786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2557005" y3="0.99476758" z3="5.32422971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96966006" y3="-0.23322195" z3="5.60979541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50367174" y3="0.91452048" z3="7.38118452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76323004" y3="1.96194854" z3="7.62632083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36099021" y3="0.28649503" z3="7.69475783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27541408" y3="0.49057455" z3="8.19220226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94240624" y3="-0.49924317" z3="7.82763587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56348173" y3="0.35718065" z3="9.255865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12034093" y3="1.51631548" z3="8.14999887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17429245" y3="2.51395985" z3="7.41052996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60811998" y3="1.60769847" z3="9.14433107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7735,-1.2869,1.9257;-3.7941,-1.7019,2.0135;-2.1203,-2.0844,1.5262;-2.8102,-.4743,1.1753;-2.2814,-.7749,3.2773;-1.2428,-.4023,3.1745;-2.2567,-1.6044,4.0036;-3.1609,.3311,3.8612;-4.1913,-.0517,3.9586;-3.1987,1.1821,3.1516;-2.6918,.8272,5.2241;-3.2532,1.7313,5.5421;-1.6312,1.141,5.1713;-2.8624,-.1837,6.3625;-2.2835,-.7299,8.7661;-3.2605,-1.1967,8.981;-1.9797,-.1923,9.6913;-1.29,-1.8769,8.5028;-1.6476,-2.4291,7.6155;-1.3153,-2.5837,9.3564;.1453,-1.4079,8.2625;.5416,-.9335,9.1855;.1235,-.6158,7.4926;1.1121,-2.5038,7.8049;2.0964,-2.0475,7.58;.7452,-2.9265,6.8503;1.3097,-3.6366,8.812;1.6437,-3.2431,9.7903;.3708,-4.1936,8.9827;2.069,-4.3605,8.4601;-3.4654,-1.26,6.1605;-2.4277,.2605,7.6364;-1.7365,1.1119,7.6373;-6.3149,.7834,5.8724;-5.544,1.4928,5.5332;-7.2557,.9948,5.3242;-5.9697,-.2332,5.6098;-6.5037,.9145,7.3812;-6.7632,1.9619,7.6263;-7.361,.2865,7.6948;-5.2754,.4906,8.1922;-4.9424,-.4992,7.8276;-5.5635,.3572,9.2559;-4.1203,1.5163,8.15;-4.1743,2.514,7.4105;-3.6081,1.6077,9.1443;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724475282592</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003166854186 0.000882430440 0.028118154980 0.008513822641</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046114500 -0.001653378 0.000324528 0.000520180 0.000771363 0.000991819 0.001212374 0.002312861 0.002592154 0.002949245 0.004457005 0.005568941 0.006217520 0.006719359 0.006989091 0.009951939 0.010816794 0.011237744 0.014372156 0.015508488 0.018748511 0.020482558 0.021078290 0.023666473 0.025747710 0.026487476 0.027024250 0.030391832 0.032263148 0.035757314 0.037293933 0.039545168 0.043945686 0.046381577 0.047747931 0.050194608 0.050776812 0.051320580 0.052618225 0.053137262 0.053557145 0.058165583 0.059743331 0.062061301 0.063946098 0.066294778 0.068523082 0.068914703 0.072950657 0.076781190 0.078615703 0.080044596 0.081252687 0.081589786 0.088158908 0.089998275 0.093792846 0.094811445 0.100046572 0.109780893 0.112780564 0.113113079 0.118227560 0.120001638 0.123286215 0.129691378 0.131537246 0.145012921 0.148611210 0.151057153 0.153478412 0.154402437 0.159331419 0.162604618 0.165215272 0.174253984 0.180497129 0.184553376 0.186741167 0.194882404 0.208846828 0.211584648 0.217682282 0.226468651 0.236618874 0.249316230 0.259836660 0.263034234 0.293890851 0.305546742 0.312869815 0.325928016 0.354889601 0.420086486 0.439699927 0.486191597 0.533782207 0.574706835 0.588807168 0.636822098 0.653535912 0.686795468 0.706345090 0.756755542 0.770434288 0.781470184 0.784249898 0.785853218 0.789987792 0.806475272 0.819036532 0.822353088 0.826127896 0.834572287 0.852158643 0.867504753 0.871670809 0.878874411 0.891467344 0.893503373 0.914529064 0.920006273 0.920998548 0.951412429 0.969569218 0.976750335 0.982032840 0.990073023 1.020228785 1.072910090 1.382454952 1.485850643</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">143</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79096633" y3="-1.28102855" z3="1.91860576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8124885" y3="-1.69353227" z3="2.00996884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14171477" y3="-2.07963568" z3="1.5145164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82863179" y3="-0.46641629" z3="1.1702195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29144688" y3="-0.77343679" z3="3.26926538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25206837" y3="-0.40374465" z3="3.16302233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26665255" y3="-1.60455507" z3="3.99388324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16513777" y3="0.33432865" z3="3.8587061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19671736" y3="-0.04520454" z3="3.95816901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20192088" y3="1.18740805" z3="3.15158169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69045685" y3="0.82505029" z3="5.221612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24736787" y3="1.73061155" z3="5.54290929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62866006" y3="1.13429372" z3="5.16709291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86221818" y3="-0.188185" z3="6.35761977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28278632" y3="-0.74302911" z3="8.7572788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2649925" y3="-1.21264678" z3="8.96869465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99701833" y3="-0.21136221" z3="9.68515544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28368974" y3="-1.88297218" z3="8.49860361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63651389" y3="-2.43431832" z3="7.60670708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31195814" y3="-2.59216955" z3="9.35017537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14928934" y3="-1.40766405" z3="8.26936324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53411627" y3="-0.930575" z3="9.19376999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13113741" y3="-0.61705695" z3="7.49841697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12324018" y3="-2.50242743" z3="7.82076948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10550593" y3="-2.04228377" z3="7.60369101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76447704" y3="-2.92874043" z3="6.86476829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31981175" y3="-3.63285782" z3="8.83077404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64609738" y3="-3.23469051" z3="9.80991105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38521406" y3="-4.19482354" z3="8.9953375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.0853647" y3="-4.35175054" z3="8.48817222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4680652" y3="-1.26264908" z3="6.15395208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42487747" y3="0.25133525" z3="7.63180618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73179229" y3="1.10090134" z3="7.63601333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31662904" y3="0.78904631" z3="5.86912793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54568754" y3="1.49883072" z3="5.53201857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25594931" y3="1.00343838" z3="5.32601076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9780119" y3="-0.2270746" z3="5.60466594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50225563" y3="0.91991947" z3="7.3798765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75783371" y3="1.96656224" z3="7.62815254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36165048" y3="0.29397626" z3="7.6933127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27462217" y3="0.49222449" z3="8.18823958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94086008" y3="-0.4955244" z3="7.8197319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56109414" y3="0.35585318" z3="9.24850639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11632762" y3="1.51356008" z3="8.15045569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16707293" y3="2.51265545" z3="7.41330962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60208629" y3="1.60081592" z3="9.14394755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.791,-1.281,1.9186;-3.8125,-1.6935,2.01;-2.1417,-2.0796,1.5145;-2.8286,-.4664,1.1702;-2.2914,-.7734,3.2693;-1.2521,-.4037,3.163;-2.2667,-1.6046,3.9939;-3.1651,.3343,3.8587;-4.1967,-.0452,3.9582;-3.2019,1.1874,3.1516;-2.6905,.8251,5.2216;-3.2474,1.7306,5.5429;-1.6287,1.1343,5.1671;-2.8622,-.1882,6.3576;-2.2828,-.743,8.7573;-3.265,-1.2126,8.9687;-1.997,-.2114,9.6852;-1.2837,-1.883,8.4986;-1.6365,-2.4343,7.6067;-1.312,-2.5922,9.3502;.1493,-1.4077,8.2694;.5341,-.9306,9.1938;.1311,-.6171,7.4984;1.1232,-2.5024,7.8208;2.1055,-2.0423,7.6037;.7645,-2.9287,6.8648;1.3198,-3.6329,8.8308;1.6461,-3.2347,9.8099;.3852,-4.1948,8.9953;2.0854,-4.3518,8.4882;-3.4681,-1.2626,6.154;-2.4249,.2513,7.6318;-1.7318,1.1009,7.636;-6.3166,.789,5.8691;-5.5457,1.4988,5.532;-7.2559,1.0034,5.326;-5.978,-.2271,5.6047;-6.5023,.9199,7.3799;-6.7578,1.9666,7.6282;-7.3617,.294,7.6933;-5.2746,.4922,8.1882;-4.9409,-.4955,7.8197;-5.5611,.3559,9.2485;-4.1163,1.5136,8.1505;-4.1671,2.5127,7.4133;-3.6021,1.6008,9.1439;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724482452745</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002821112163 0.000737724327 0.025477390727 0.008515600993</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046071491 -0.001259369 0.000326163 0.000522872 0.000772704 0.000994990 0.001214150 0.002316495 0.002590075 0.002949998 0.004471430 0.005578388 0.006219487 0.006724373 0.006989872 0.009996060 0.010834815 0.011240668 0.014410972 0.015553439 0.018774732 0.020572662 0.021090172 0.023693128 0.025748542 0.026508755 0.027028216 0.030392249 0.032303593 0.035757864 0.037300679 0.039545279 0.043943884 0.046383767 0.047750153 0.050194403 0.050777681 0.051336947 0.052630152 0.053164930 0.053557969 0.058164909 0.059744101 0.062058341 0.064013492 0.066295002 0.068525027 0.068919689 0.072971468 0.076784837 0.078669562 0.080065638 0.081254998 0.081600730 0.088214742 0.089998203 0.093796934 0.095134139 0.100091490 0.109934204 0.112782923 0.113114138 0.118253823 0.120020575 0.123347341 0.129696290 0.131696999 0.145013132 0.148622841 0.151245495 0.153477033 0.154416333 0.159396300 0.162820957 0.165216088 0.174251487 0.181034620 0.184553465 0.186804070 0.195430618 0.208908319 0.211598648 0.217682171 0.226558038 0.236742321 0.249463430 0.259849511 0.263241304 0.294177873 0.305548436 0.312912392 0.326082882 0.354913064 0.420135108 0.439755052 0.486192307 0.533783057 0.574708132 0.588805571 0.636969984 0.653716192 0.686800172 0.706344391 0.756767368 0.771242070 0.781570212 0.784316775 0.785874507 0.789989710 0.806846999 0.819824794 0.822554552 0.826155645 0.835178750 0.852176449 0.867525801 0.871673093 0.878902023 0.891497940 0.893503429 0.914949336 0.920017380 0.921028465 0.951425870 0.969779469 0.976904374 0.982035536 0.990275979 1.020709734 1.072923112 1.382460161 1.485862002</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">144</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80766622" y3="-1.27324417" z3="1.90898049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83090549" y3="-1.68123043" z3="2.00131871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16335417" y3="-2.07337698" z3="1.5001734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.84342758" y3="-0.45561132" z3="1.16375145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30218881" y3="-0.77308617" z3="3.26025504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26158117" y3="-0.40728234" z3="3.15245229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27885272" y3="-1.60694992" z3="3.98173886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16971705" y3="0.33593417" z3="3.8561471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20219979" y3="-0.04028961" z3="3.95797314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20599496" y3="1.19111286" z3="3.15146474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68907154" y3="0.82154624" z3="5.218898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24183935" y3="1.72860115" z3="5.54260093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62628281" y3="1.12699715" z3="5.16154206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86129612" y3="-0.19357604" z3="6.35374408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28616339" y3="-0.75337855" z3="8.75294775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26333904" y3="-1.22824293" z3="8.95034744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99876816" y3="-0.22112143" z3="9.68650014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28176884" y3="-1.89168397" z3="8.49395904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62649772" y3="-2.43868836" z3="7.59771884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31216657" y3="-2.60499109" z3="9.34198949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1525987" y3="-1.41161133" z3="8.27522713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52959" y3="-0.93207828" z3="9.20271829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13635992" y3="-0.62103771" z3="7.50374935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13552528" y3="-2.50089956" z3="7.83673194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11770551" y3="-2.0363293" z3="7.62246465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.78470802" y3="-2.93220575" z3="6.87997267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33233578" y3="-3.62679555" z3="8.85185283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65195441" y3="-3.22487285" z3="9.8314072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39763376" y3="-4.19150029" z3="9.01497607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.10217746" y3="-4.34506781" z3="8.51364961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46955076" y3="-1.26685197" z3="6.14848735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42108466" y3="0.2419436" z3="7.62755151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72917035" y3="1.09252063" z3="7.63419804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31702531" y3="0.79815492" z3="5.86889804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54019151" y3="1.50189168" z3="5.53178557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25511173" y3="1.02006458" z3="5.32449495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97993099" y3="-0.21958247" z3="5.60203652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50365575" y3="0.92451843" z3="7.37927934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75670043" y3="1.97058121" z3="7.63094474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3644216" y3="0.30036271" z3="7.69147476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27552322" y3="0.49117909" z3="8.18592418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94648354" y3="-0.49762234" z3="7.81627559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56206757" y3="0.35555943" z3="9.24836066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11743941" y3="1.51264888" z3="8.14842346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16325881" y3="2.5114411" z3="7.4121176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59986048" y3="1.5946069" z3="9.14038319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8077,-1.2732,1.909;-3.8309,-1.6812,2.0013;-2.1634,-2.0734,1.5002;-2.8434,-.4556,1.1638;-2.3022,-.7731,3.2603;-1.2616,-.4073,3.1525;-2.2789,-1.6069,3.9817;-3.1697,.3359,3.8561;-4.2022,-.0403,3.958;-3.206,1.1911,3.1515;-2.6891,.8215,5.2189;-3.2418,1.7286,5.5426;-1.6263,1.127,5.1615;-2.8613,-.1936,6.3537;-2.2862,-.7534,8.7529;-3.2633,-1.2282,8.9503;-1.9988,-.2211,9.6865;-1.2818,-1.8917,8.494;-1.6265,-2.4387,7.5977;-1.3122,-2.605,9.342;.1526,-1.4116,8.2752;.5296,-.9321,9.2027;.1364,-.621,7.5037;1.1355,-2.5009,7.8367;2.1177,-2.0363,7.6225;.7847,-2.9322,6.88;1.3323,-3.6268,8.8519;1.652,-3.2249,9.8314;.3976,-4.1915,9.015;2.1022,-4.3451,8.5136;-3.4696,-1.2669,6.1485;-2.4211,.2419,7.6276;-1.7292,1.0925,7.6342;-6.317,.7982,5.8689;-5.5402,1.5019,5.5318;-7.2551,1.0201,5.3245;-5.9799,-.2196,5.602;-6.5037,.9245,7.3793;-6.7567,1.9706,7.6309;-7.3644,.3004,7.6915;-5.2755,.4912,8.1859;-4.9465,-.4976,7.8163;-5.5621,.3556,9.2484;-4.1174,1.5126,8.1484;-4.1633,2.5114,7.4121;-3.5999,1.5946,9.1404;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724486316591</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002319489463 0.000636787276 0.029590100711 0.008518694551</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046091972 -0.000944204 0.000325151 0.000521747 0.000772602 0.001005639 0.001214032 0.002316144 0.002598380 0.002950378 0.004479788 0.005578542 0.006221723 0.006727217 0.006993315 0.010020561 0.010851172 0.011272620 0.014446854 0.015595842 0.018787894 0.020584299 0.021095084 0.023706009 0.025749739 0.026530028 0.027027330 0.030393319 0.032323827 0.035764586 0.037302201 0.039545369 0.043959640 0.046387070 0.047753651 0.050194409 0.050782120 0.051355522 0.052643251 0.053176675 0.053560798 0.058164010 0.059757076 0.062068483 0.064035000 0.066294674 0.068524088 0.068943171 0.072975754 0.076785850 0.078682645 0.080062953 0.081259613 0.081601651 0.088284655 0.089999320 0.093802876 0.095452150 0.100105142 0.110132621 0.112801529 0.113117324 0.118273459 0.120029590 0.123410820 0.129696362 0.131795624 0.145015135 0.148622259 0.151355395 0.153479658 0.154439558 0.159443574 0.162996525 0.165216826 0.174277697 0.181515735 0.184556615 0.186809334 0.195789519 0.208912594 0.211624920 0.217697940 0.226649513 0.236813868 0.249571300 0.259853544 0.263373465 0.294331123 0.305557670 0.312947721 0.326193463 0.354912074 0.420164001 0.439760602 0.486192595 0.533787967 0.574710119 0.588839854 0.637013077 0.653787140 0.686802635 0.706355535 0.756772373 0.771795652 0.781652709 0.784380330 0.785874524 0.789990626 0.807243245 0.820309000 0.822945703 0.826215084 0.835669858 0.852184876 0.867608257 0.871673868 0.878932605 0.891555130 0.893511210 0.915256546 0.920032430 0.921071687 0.951441224 0.969889956 0.977055432 0.982124204 0.990328124 1.020840559 1.072924730 1.382465541 1.485869468</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">145</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82334383" y3="-1.26420835" z3="1.89852989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8487919" y3="-1.66660124" z3="1.99018775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.18418202" y3="-2.06625778" z3="1.48545921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.85521806" y3="-0.4431464" z3="1.15692479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.31347588" y3="-0.7728023" z3="3.25138184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.27104503" y3="-0.41222624" z3="3.14375189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29382271" y3="-1.60975564" z3="3.96945117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17426317" y3="0.33855139" z3="3.85289015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20812066" y3="-0.03348241" z3="3.95645892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20888415" y3="1.19578648" z3="3.1505953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68767882" y3="0.81889453" z3="5.21539088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23551509" y3="1.7278618" z3="5.54236577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62356391" y3="1.11943207" z3="5.15565677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86081131" y3="-0.19798313" z3="6.34847867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28484741" y3="-0.76423647" z3="8.74498046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26699025" y3="-1.24043549" z3="8.93883901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.01390603" y3="-0.23691665" z3="9.68008497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27760823" y3="-1.8987189" z3="8.49111079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61594837" y3="-2.44551315" z3="7.59157648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31386248" y3="-2.61406198" z3="9.33712671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15561634" y3="-1.41337076" z3="8.28168558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52380868" y3="-0.93062413" z3="9.21080605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14179984" y3="-0.62497888" z3="7.50803658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.14549842" y3="-2.5004917" z3="7.85123701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12578992" y3="-2.03178965" z3="7.6405622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.80162276" y3="-2.93791251" z3="6.89456455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.34199262" y3="-3.62011345" z3="8.8731814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65524021" y3="-3.21068562" z3="9.85219171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.4102052" y3="-4.18901652" z3="9.03417551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.1171437" y3="-4.3353804" z3="8.54323971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4713914" y3="-1.26972281" z3="6.14180225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41754451" y3="0.23373015" z3="7.62229226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72510594" y3="1.08373884" z3="7.63122816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31805318" y3="0.80337966" z3="5.86872926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54165907" y3="1.50768297" z3="5.53284349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25722546" y3="1.02674413" z3="5.32617776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9872885" y3="-0.21567054" z3="5.60066864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50022998" y3="0.92900696" z3="7.37930592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74926404" y3="1.97665853" z3="7.63209854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36210437" y3="0.30689922" z3="7.69293362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27354" y3="0.49071851" z3="8.18315731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94388903" y3="-0.49732304" z3="7.81036406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55969081" y3="0.35225109" z3="9.24393128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11327129" y3="1.50808077" z3="8.14835613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15779798" y3="2.50826601" z3="7.41393955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59275165" y3="1.58619929" z3="9.13913829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8233,-1.2642,1.8985;-3.8488,-1.6666,1.9902;-2.1842,-2.0663,1.4855;-2.8552,-.4431,1.1569;-2.3135,-.7728,3.2514;-1.271,-.4122,3.1438;-2.2938,-1.6098,3.9695;-3.1743,.3386,3.8529;-4.2081,-.0335,3.9565;-3.2089,1.1958,3.1506;-2.6877,.8189,5.2154;-3.2355,1.7279,5.5424;-1.6236,1.1194,5.1557;-2.8608,-.198,6.3485;-2.2848,-.7642,8.745;-3.267,-1.2404,8.9388;-2.0139,-.2369,9.6801;-1.2776,-1.8987,8.4911;-1.6159,-2.4455,7.5916;-1.3139,-2.6141,9.3371;.1556,-1.4134,8.2817;.5238,-.9306,9.2108;.1418,-.625,7.508;1.1455,-2.5005,7.8512;2.1258,-2.0318,7.6406;.8016,-2.9379,6.8946;1.342,-3.6201,8.8732;1.6552,-3.2107,9.8522;.4102,-4.189,9.0342;2.1171,-4.3354,8.5432;-3.4714,-1.2697,6.1418;-2.4175,.2337,7.6223;-1.7251,1.0837,7.6312;-6.3181,.8034,5.8687;-5.5417,1.5077,5.5328;-7.2572,1.0267,5.3262;-5.9873,-.2157,5.6007;-6.5002,.929,7.3793;-6.7493,1.9767,7.6321;-7.3621,.3069,7.6929;-5.2735,.4907,8.1832;-4.9439,-.4973,7.8104;-5.5597,.3523,9.2439;-4.1133,1.5081,8.1484;-4.1578,2.5083,7.4139;-3.5928,1.5862,9.1391;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724486392163</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002568660024 0.000592469002 0.026752110237 0.008510350426</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046092999 -0.000839069 0.000323292 0.000522963 0.000772769 0.001008414 0.001214183 0.002328634 0.002598533 0.002950985 0.004479453 0.005582393 0.006241022 0.006758904 0.007000555 0.010037383 0.010863485 0.011304862 0.014449442 0.015625775 0.018801349 0.020583250 0.021094655 0.023714227 0.025753472 0.026528206 0.027026909 0.030393060 0.032350566 0.035797092 0.037302071 0.039546245 0.044010612 0.046397308 0.047753923 0.050194825 0.050783960 0.051353586 0.052648246 0.053176751 0.053567808 0.058163126 0.059786118 0.062084274 0.064037386 0.066294451 0.068528003 0.068988810 0.072980528 0.076786460 0.078687484 0.080084230 0.081262949 0.081607654 0.088345566 0.090007289 0.093806839 0.095787260 0.100107680 0.110315395 0.112859894 0.113119477 0.118280624 0.120029208 0.123478886 0.129698177 0.131855458 0.145021943 0.148625229 0.151432819 0.153477397 0.154441263 0.159483931 0.163113411 0.165219350 0.174317512 0.181910695 0.184559512 0.186816307 0.195884300 0.208912533 0.211657922 0.217697052 0.226702286 0.236898814 0.249583975 0.259866042 0.263482041 0.294359291 0.305561436 0.312971548 0.326227276 0.354916929 0.420197678 0.439760959 0.486196833 0.533791612 0.574714049 0.588900552 0.637033661 0.653790473 0.686814167 0.706367237 0.756775777 0.772107411 0.781699560 0.784417094 0.785874591 0.789991492 0.807576341 0.820622380 0.823485686 0.826274109 0.835962339 0.852188773 0.867841952 0.871716880 0.878935387 0.891604118 0.893511366 0.915640354 0.920039628 0.921103035 0.951448097 0.969961664 0.977076502 0.982336962 0.990339546 1.020851482 1.072983009 1.382469493 1.485877304</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">146</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8381491" y3="-1.25708285" z3="1.8882257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.86655716" y3="-1.65260982" z3="1.97862947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.20461741" y3="-2.06227895" z3="1.47230983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.86419809" y3="-0.43324256" z3="1.14933377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32483112" y3="-0.77370753" z3="3.24268713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.28021631" y3="-0.41906247" z3="3.13579953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31004916" y3="-1.61330452" z3="3.95780482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17886035" y3="0.34057547" z3="3.84844604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21446338" y3="-0.02645578" z3="3.95269987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21011863" y3="1.19972202" z3="3.14819705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68810555" y3="0.81556804" z3="5.21133284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23174378" y3="1.7260834" z3="5.54033551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62296381" y3="1.11183461" z3="5.15039775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86371222" y3="-0.20309731" z3="6.34281878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28920926" y3="-0.77586045" z3="8.73793648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26637866" y3="-1.25740512" z3="8.92079808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.01580725" y3="-0.24805176" z3="9.67832803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27492341" y3="-1.90496397" z3="8.48501812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60638844" y3="-2.44917935" z3="7.58118566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31145794" y3="-2.62386162" z3="9.32849779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15807234" y3="-1.41404313" z3="8.28765448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51528368" y3="-0.92935197" z3="9.21950018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14814646" y3="-0.62532794" z3="7.51457829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.15627186" y3="-2.49716243" z3="7.86835449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.13618342" y3="-2.02494683" z3="7.66325354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.8211992" y3="-2.93807549" z3="6.91053792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.35187738" y3="-3.61410785" z3="8.89346257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65716358" y3="-3.20169298" z3="9.87298342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.4205302" y3="-4.18509445" z3="9.05062419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.13141567" y3="-4.32809387" z3="8.56999183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47891678" y3="-1.27216016" z3="6.13438266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41710118" y3="0.22389463" z3="7.61642875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72273169" y3="1.07223073" z3="7.62709337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31740866" y3="0.81025239" z3="5.86928541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5353685" y3="1.50871539" z3="5.53384948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25403432" y3="1.0423034" z3="5.32883775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98957052" y3="-0.20890754" z3="5.59843126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50008881" y3="0.93260473" z3="7.38085871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74644703" y3="1.97827335" z3="7.6372979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36354358" y3="0.31237524" z3="7.69285155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27208719" y3="0.4902411" z3="8.18231744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9454363" y3="-0.49716653" z3="7.80687079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55671892" y3="0.35001022" z3="9.24361539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11062749" y3="1.50619765" z3="8.14892342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15076171" y3="2.50739329" z3="7.41701813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58651887" y3="1.57847581" z3="9.13810307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8381,-1.2571,1.8882;-3.8666,-1.6526,1.9786;-2.2046,-2.0623,1.4723;-2.8642,-.4332,1.1493;-2.3248,-.7737,3.2427;-1.2802,-.4191,3.1358;-2.31,-1.6133,3.9578;-3.1789,.3406,3.8484;-4.2145,-.0265,3.9527;-3.2101,1.1997,3.1482;-2.6881,.8156,5.2113;-3.2317,1.7261,5.5403;-1.623,1.1118,5.1504;-2.8637,-.2031,6.3428;-2.2892,-.7759,8.7379;-3.2664,-1.2574,8.9208;-2.0158,-.2481,9.6783;-1.2749,-1.905,8.485;-1.6064,-2.4492,7.5812;-1.3115,-2.6239,9.3285;.1581,-1.414,8.2877;.5153,-.9294,9.2195;.1481,-.6253,7.5146;1.1563,-2.4972,7.8684;2.1362,-2.0249,7.6633;.8212,-2.9381,6.9105;1.3519,-3.6141,8.8935;1.6572,-3.2017,9.873;.4205,-4.1851,9.0506;2.1314,-4.3281,8.57;-3.4789,-1.2722,6.1344;-2.4171,.2239,7.6164;-1.7227,1.0722,7.6271;-6.3174,.8103,5.8693;-5.5354,1.5087,5.5338;-7.254,1.0423,5.3288;-5.9896,-.2089,5.5984;-6.5001,.9326,7.3809;-6.7464,1.9783,7.6373;-7.3635,.3124,7.6929;-5.2721,.4902,8.1823;-4.9454,-.4972,7.8069;-5.5567,.35,9.2436;-4.1106,1.5062,8.1489;-4.1508,2.5074,7.417;-3.5865,1.5785,9.1381;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724482836245</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002415588869 0.000591970020 0.028695948166 0.008517899019</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046113837 -0.000863108 0.000321313 0.000527161 0.000772660 0.001014624 0.001214135 0.002349499 0.002603298 0.002951563 0.004479994 0.005591038 0.006287712 0.006785576 0.007000463 0.010042678 0.010861087 0.011331912 0.014447962 0.015645813 0.018807090 0.020595995 0.021095549 0.023717683 0.025754053 0.026528300 0.027028149 0.030393166 0.032375292 0.035830078 0.037303319 0.039547030 0.044085898 0.046414727 0.047754721 0.050195157 0.050785078 0.051355747 0.052648227 0.053183030 0.053568888 0.058161963 0.059830018 0.062146161 0.064039818 0.066294268 0.068544543 0.069107861 0.072988309 0.076788748 0.078691234 0.080108491 0.081265789 0.081612901 0.088384190 0.090006859 0.093812437 0.096156903 0.100108978 0.110480178 0.112927969 0.113124452 0.118286977 0.120029426 0.123555731 0.129707062 0.131900156 0.145033380 0.148635240 0.151465996 0.153477681 0.154448268 0.159521511 0.163202439 0.165224773 0.174446764 0.182165309 0.184565935 0.186822207 0.195981655 0.208913716 0.211677926 0.217722495 0.226723844 0.236983330 0.249604701 0.259872714 0.263525527 0.294376068 0.305569796 0.312987323 0.326250848 0.354959111 0.420205020 0.439779358 0.486214327 0.533809087 0.574715563 0.589036375 0.637033588 0.653801457 0.686848920 0.706389699 0.756775707 0.772164862 0.781759887 0.784476118 0.785874695 0.789992478 0.807806906 0.820723401 0.824012467 0.826393208 0.836197967 0.852188898 0.868078958 0.871856458 0.878936512 0.891666002 0.893521978 0.915959499 0.920060812 0.921166413 0.951463578 0.969996322 0.977126616 0.982711178 0.990342248 1.020853888 1.072988450 1.382500219 1.485883016</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">147</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.85016108" y3="-1.24885799" z3="1.87652324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.88049206" y3="-1.63909381" z3="1.96492768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.22075625" y3="-2.0556309" z3="1.45775157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.87153625" y3="-0.42224452" z3="1.14084915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.33472195" y3="-0.77357497" z3="3.23290717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.28845832" y3="-0.42384176" z3="3.12741495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32401918" y3="-1.61579554" z3="3.94480554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18299709" y3="0.34261277" z3="3.84308516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.2199599" y3="-0.02019513" z3="3.94812313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21186639" y3="1.20363973" z3="3.14515071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68765038" y3="0.81223751" z3="5.20622589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2270884" y3="1.72416947" z3="5.538716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62132316" y3="1.1043731" z3="5.1438388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8647967" y3="-0.20815285" z3="6.33579227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28933991" y3="-0.78522106" z3="8.73008787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27035893" y3="-1.26797643" z3="8.90981513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.03160393" y3="-0.2606106" z3="9.67056752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27227242" y3="-1.9130163" z3="8.48249466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59382669" y3="-2.45794196" z3="7.57642738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31441508" y3="-2.63285243" z3="9.32437842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16078429" y3="-1.41667752" z3="8.29410042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51022613" y3="-0.92839349" z3="9.22809735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.15213677" y3="-0.63006987" z3="7.51820093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.16668229" y3="-2.49617489" z3="7.88281833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.14525892" y3="-2.01955249" z3="7.68097141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.83883653" y3="-2.94300835" z3="6.92468418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.3613166" y3="-3.60694707" z3="8.91485855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66026386" y3="-3.18805109" z3="9.89437411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.43229427" y3="-4.18217051" z3="9.07027616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.14612076" y3="-4.31809866" z3="8.59868777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48301512" y3="-1.2750366" z3="6.12639378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41576492" y3="0.21613138" z3="7.61001498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71929709" y3="1.06288559" z3="7.62107854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32017201" y3="0.81887487" z3="5.87307289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53764979" y3="1.51707357" z3="5.53822884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2592036" y3="1.05433933" z3="5.33393807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99834507" y3="-0.20204133" z3="5.59873395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49683688" y3="0.93734216" z3="7.38473027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73900211" y3="1.98559867" z3="7.64330419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36146171" y3="0.31897454" z3="7.69838414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26952431" y3="0.48728278" z3="8.18141435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94768635" y3="-0.50081694" z3="7.80187701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55174349" y3="0.34359746" z3="9.24333248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10492274" y3="1.49989575" z3="8.14624079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.14597096" y3="2.50271621" z3="7.41538987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.57964899" y3="1.57075638" z3="9.13480266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8502,-1.2489,1.8765;-3.8805,-1.6391,1.9649;-2.2208,-2.0556,1.4578;-2.8715,-.4222,1.1408;-2.3347,-.7736,3.2329;-1.2885,-.4238,3.1274;-2.324,-1.6158,3.9448;-3.183,.3426,3.8431;-4.22,-.0202,3.9481;-3.2119,1.2036,3.1452;-2.6877,.8122,5.2062;-3.2271,1.7242,5.5387;-1.6213,1.1044,5.1438;-2.8648,-.2082,6.3358;-2.2893,-.7852,8.7301;-3.2704,-1.268,8.9098;-2.0316,-.2606,9.6706;-1.2723,-1.913,8.4825;-1.5938,-2.4579,7.5764;-1.3144,-2.6329,9.3244;.1608,-1.4167,8.2941;.5102,-.9284,9.2281;.1521,-.6301,7.5182;1.1667,-2.4962,7.8828;2.1453,-2.0196,7.681;.8388,-2.943,6.9247;1.3613,-3.6069,8.9149;1.6603,-3.1881,9.8944;.4323,-4.1822,9.0703;2.1461,-4.3181,8.5987;-3.483,-1.275,6.1264;-2.4158,.2161,7.61;-1.7193,1.0629,7.6211;-6.3202,.8189,5.8731;-5.5376,1.5171,5.5382;-7.2592,1.0543,5.3339;-5.9983,-.202,5.5987;-6.4968,.9373,7.3847;-6.739,1.9856,7.6433;-7.3615,.319,7.6984;-5.2695,.4873,8.1814;-4.9477,-.5008,7.8019;-5.5517,.3436,9.2433;-4.1049,1.4999,8.1462;-4.146,2.5027,7.4154;-3.5796,1.5708,9.1348;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724477700170</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002413182908 0.000608071467 0.027501683539 0.008503881542</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046118346 -0.000837276 0.000320542 0.000525585 0.000772794 0.001023047 0.001217383 0.002365477 0.002608265 0.002952182 0.004478860 0.005596830 0.006315104 0.006798807 0.006999262 0.010043440 0.010862034 0.011342362 0.014460556 0.015641775 0.018809623 0.020623292 0.021110077 0.023722099 0.025755871 0.026530093 0.027027160 0.030393609 0.032399772 0.035901087 0.037305598 0.039548996 0.044168934 0.046436266 0.047755783 0.050196265 0.050786146 0.051372713 0.052648115 0.053197337 0.053569071 0.058161446 0.059870056 0.062224792 0.064041946 0.066294272 0.068560280 0.069205441 0.072995441 0.076790887 0.078700746 0.080154322 0.081267834 0.081619346 0.088402722 0.090006751 0.093816496 0.096607886 0.100110331 0.110596431 0.112988824 0.113132962 0.118289164 0.120032107 0.123617902 0.129731220 0.131920862 0.145055830 0.148669791 0.151477961 0.153476124 0.154451891 0.159539805 0.163253952 0.165234472 0.174592043 0.182373870 0.184570933 0.186837358 0.195996887 0.208917515 0.211714829 0.217728984 0.226730818 0.237036618 0.249613343 0.259879493 0.263554912 0.294432063 0.305570718 0.312998774 0.326251404 0.355001338 0.420207084 0.439837898 0.486246806 0.533823751 0.574719076 0.589142009 0.637037259 0.653834534 0.686897748 0.706411486 0.756776390 0.772193792 0.781804895 0.784496253 0.785879661 0.789993218 0.808043932 0.820777443 0.824530740 0.826578986 0.836351344 0.852189054 0.868446467 0.872076999 0.878937470 0.891734411 0.893523536 0.916256796 0.920082359 0.921282768 0.951478128 0.970036841 0.977128442 0.983164832 0.990343517 1.020900602 1.073050183 1.382515042 1.485902768</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">148</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8629672" y3="-1.24256992" z3="1.86720038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89565947" y3="-1.62696716" z3="1.95411419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.23817015" y3="-2.05194085" z3="1.4463037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.87910055" y3="-0.41378891" z3="1.13388224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.34541719" y3="-0.7740097" z3="3.22512779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.29739032" y3="-0.42927817" z3="3.12076426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.33910356" y3="-1.61843354" z3="3.93444225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18824142" y3="0.34456564" z3="3.83860826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22666424" y3="-0.01403324" z3="3.94407028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21410248" y3="1.20716195" z3="3.14244185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68975902" y3="0.80940719" z3="5.20221107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22597277" y3="1.72215494" z3="5.53724198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62278279" y3="1.09846411" z3="5.1392815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86893268" y3="-0.21292693" z3="6.32974123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29381015" y3="-0.79842495" z3="8.72129689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27040239" y3="-1.28602741" z3="8.89077471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.03391151" y3="-0.27398639" z3="9.66721563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26886544" y3="-1.91928982" z3="8.47640083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58440497" y3="-2.46442758" z3="7.56694344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31142664" y3="-2.64079709" z3="9.31743389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16284757" y3="-1.41718694" z3="8.29895233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.50059781" y3="-0.92559552" z3="9.23444038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.15875889" y3="-0.631755" z3="7.52254087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.17688616" y3="-2.49331795" z3="7.89973708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.15433802" y3="-2.01253841" z3="7.7036605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.85867302" y3="-2.94440871" z3="6.94084004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.37075491" y3="-3.60055881" z3="8.93566934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66163229" y3="-3.17764097" z3="9.91524896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.44309859" y3="-4.17887072" z3="9.08729715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.16020326" y3="-4.30980637" z3="8.62618946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4912733" y3="-1.27696946" z3="6.11865116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41730104" y3="0.20663202" z3="7.60446826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71659596" y3="1.04981059" z3="7.61688502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32160194" y3="0.8267839" z3="5.87327192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53711148" y3="1.52335106" z3="5.54028752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25927132" y3="1.06811791" z3="5.3395528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.0036714" y3="-0.19283744" z3="5.59456575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.4956165" y3="0.94197348" z3="7.38662436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73398062" y3="1.98782254" z3="7.64969583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36130525" y3="0.32507773" z3="7.69917869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26691675" y3="0.48755839" z3="8.17906732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94611782" y3="-0.49794545" z3="7.79429661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54689995" y3="0.33930673" z3="9.23986004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09893349" y3="1.49581811" z3="8.14698933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.13638085" y3="2.50058454" z3="7.41938314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.57169672" y3="1.56219879" z3="9.13503802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.863,-1.2426,1.8672;-3.8957,-1.627,1.9541;-2.2382,-2.0519,1.4463;-2.8791,-.4138,1.1339;-2.3454,-.774,3.2251;-1.2974,-.4293,3.1208;-2.3391,-1.6184,3.9344;-3.1882,.3446,3.8386;-4.2267,-.014,3.9441;-3.2141,1.2072,3.1424;-2.6898,.8094,5.2022;-3.226,1.7222,5.5372;-1.6228,1.0985,5.1393;-2.8689,-.2129,6.3297;-2.2938,-.7984,8.7213;-3.2704,-1.286,8.8908;-2.0339,-.274,9.6672;-1.2689,-1.9193,8.4764;-1.5844,-2.4644,7.5669;-1.3114,-2.6408,9.3174;.1628,-1.4172,8.299;.5006,-.9256,9.2344;.1588,-.6318,7.5225;1.1769,-2.4933,7.8997;2.1543,-2.0125,7.7037;.8587,-2.9444,6.9408;1.3708,-3.6006,8.9357;1.6616,-3.1776,9.9152;.4431,-4.1789,9.0873;2.1602,-4.3098,8.6262;-3.4913,-1.277,6.1187;-2.4173,.2066,7.6045;-1.7166,1.0498,7.6169;-6.3216,.8268,5.8733;-5.5371,1.5234,5.5403;-7.2593,1.0681,5.3396;-6.0037,-.1928,5.5946;-6.4956,.942,7.3866;-6.734,1.9878,7.6497;-7.3613,.3251,7.6992;-5.2669,.4876,8.1791;-4.9461,-.4979,7.7943;-5.5469,.3393,9.2399;-4.0989,1.4958,8.147;-4.1364,2.5006,7.4194;-3.5717,1.5622,9.135;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724471243351</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002661667636 0.000588415969 0.026959140909 0.008501024076</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046127537 -0.000842651 0.000321058 0.000525106 0.000776747 0.001027500 0.001222148 0.002368324 0.002607038 0.002953663 0.004492426 0.005601691 0.006316634 0.006804218 0.007004538 0.010052843 0.010870385 0.011344342 0.014503959 0.015654887 0.018812225 0.020637130 0.021146096 0.023724942 0.025755899 0.026537154 0.027028722 0.030394932 0.032429692 0.035969210 0.037307482 0.039550596 0.044223080 0.046457752 0.047757257 0.050195823 0.050790630 0.051434173 0.052651989 0.053222441 0.053574619 0.058161073 0.059899459 0.062292716 0.064051541 0.066294295 0.068571607 0.069284753 0.073002852 0.076793309 0.078707619 0.080183002 0.081271115 0.081626487 0.088406213 0.090014444 0.093818194 0.097036745 0.100124381 0.110640022 0.112999070 0.113137421 0.118294598 0.120032795 0.123694184 0.129771553 0.131934465 0.145088436 0.148715038 0.151483294 0.153476021 0.154456631 0.159555737 0.163298153 0.165247363 0.174817482 0.182541639 0.184577535 0.186873565 0.196013024 0.208935597 0.211729317 0.217739943 0.226727374 0.237078342 0.249625632 0.259885460 0.263587625 0.294653366 0.305574030 0.313024307 0.326251431 0.355044575 0.420207422 0.439937998 0.486278834 0.533844346 0.574723012 0.589229064 0.637037875 0.653864794 0.686955018 0.706415157 0.756776425 0.772200669 0.781821322 0.784503815 0.785895728 0.789993126 0.808215981 0.820797779 0.824874279 0.826808305 0.836523514 0.852189095 0.868656655 0.872443121 0.878942113 0.891816674 0.893524685 0.916487943 0.920108579 0.921428876 0.951497380 0.970048014 0.977131642 0.983735115 0.990346712 1.020986791 1.073075548 1.382530103 1.485917288</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">149</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.87488065" y3="-1.23483459" z3="1.85553627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.91069817" y3="-1.61220499" z3="1.93895517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.25515695" y3="-2.04710261" z3="1.43272972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.88374189" y3="-0.40288062" z3="1.12534062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.35599658" y3="-0.77525922" z3="3.21622107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.30600115" y3="-0.43546392" z3="3.1144747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.35463499" y3="-1.62283928" z3="3.92194795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19343723" y3="0.34495775" z3="3.83382206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23315683" y3="-0.00973073" z3="3.93980023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21706238" y3="1.2093907" z3="3.13992481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69094498" y3="0.80493392" z3="5.19763921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22433079" y3="1.71822456" z3="5.53581698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62329724" y3="1.09153612" z3="5.13318802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87020836" y3="-0.21909362" z3="6.32345936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29355106" y3="-0.8075401" z3="8.71461583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27268384" y3="-1.29786529" z3="8.88199169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.04793401" y3="-0.28577826" z3="9.66038337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26504457" y3="-1.92606875" z3="8.47250218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57121029" y3="-2.46733417" z3="7.55884266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31095498" y3="-2.65175876" z3="9.3089708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16666934" y3="-1.41897136" z3="8.30646617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.49653689" y3="-0.92588622" z3="9.24477186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.16455827" y3="-0.63379921" z3="7.52939335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.18843375" y3="-2.49141277" z3="7.91528776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.16505715" y3="-2.00665105" z3="7.72438895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.87846267" y3="-2.94663274" z3="6.95544054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.38063469" y3="-3.59492953" z3="8.95555905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66409225" y3="-3.16815291" z3="9.93596736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.45504063" y3="-4.17736433" z3="9.10322761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.17542481" y3="-4.30086386" z3="8.6531486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49489333" y3="-1.28161558" z3="6.11189235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41633943" y3="0.19841487" z3="7.59844466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71419503" y3="1.04043403" z3="7.61097773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32315882" y3="0.83801336" z3="5.87738435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53502119" y3="1.53105222" z3="5.54334575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2622508" y3="1.08637395" z3="5.34301203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00912127" y3="-0.18282522" z3="5.59406932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.4943458" y3="0.94634361" z3="7.39032323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73009439" y3="1.99415117" z3="7.65662759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36135201" y3="0.33093949" z3="7.70260556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26499165" y3="0.48446397" z3="8.17838188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95245711" y3="-0.50339981" z3="7.79035097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54151131" y3="0.33450557" z3="9.24194917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09488266" y3="1.49145053" z3="8.14287422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.13166292" y3="2.49682866" z3="7.41516956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56767459" y3="1.55670124" z3="9.13066593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8749,-1.2348,1.8555;-3.9107,-1.6122,1.939;-2.2552,-2.0471,1.4327;-2.8837,-.4029,1.1253;-2.356,-.7753,3.2162;-1.306,-.4355,3.1145;-2.3546,-1.6228,3.9219;-3.1934,.345,3.8338;-4.2332,-.0097,3.9398;-3.2171,1.2094,3.1399;-2.6909,.8049,5.1976;-3.2243,1.7182,5.5358;-1.6233,1.0915,5.1332;-2.8702,-.2191,6.3235;-2.2936,-.8075,8.7146;-3.2727,-1.2979,8.882;-2.0479,-.2858,9.6604;-1.265,-1.9261,8.4725;-1.5712,-2.4673,7.5588;-1.311,-2.6518,9.309;.1667,-1.419,8.3065;.4965,-.9259,9.2448;.1646,-.6338,7.5294;1.1884,-2.4914,7.9153;2.1651,-2.0067,7.7244;.8785,-2.9466,6.9554;1.3806,-3.5949,8.9556;1.6641,-3.1682,9.936;.455,-4.1774,9.1032;2.1754,-4.3009,8.6531;-3.4949,-1.2816,6.1119;-2.4163,.1984,7.5984;-1.7142,1.0404,7.611;-6.3232,.838,5.8774;-5.535,1.5311,5.5433;-7.2623,1.0864,5.343;-6.0091,-.1828,5.5941;-6.4943,.9463,7.3903;-6.7301,1.9942,7.6566;-7.3614,.3309,7.7026;-5.265,.4845,8.1784;-4.9525,-.5034,7.7904;-5.5415,.3345,9.2419;-4.0949,1.4915,8.1429;-4.1317,2.4968,7.4152;-3.5677,1.5567,9.1307;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724459862891</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002549137790 0.000599512140 0.029898415458 0.008507494404</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046152710 -0.001032856 0.000344351 0.000525005 0.000786586 0.001033439 0.001222562 0.002372683 0.002608023 0.002954098 0.004501217 0.005601335 0.006326012 0.006807630 0.007037918 0.010086956 0.010893305 0.011375785 0.014635332 0.015728148 0.018814953 0.020635739 0.021193411 0.023728324 0.025759943 0.026553298 0.027026212 0.030395258 0.032456667 0.036039372 0.037308308 0.039551581 0.044251847 0.046469577 0.047759069 0.050195623 0.050800877 0.051535472 0.052662056 0.053244111 0.053602574 0.058162182 0.059913905 0.062375298 0.064058535 0.066295552 0.068575703 0.069322832 0.073010344 0.076795793 0.078712407 0.080186443 0.081272986 0.081638774 0.088410158 0.090035072 0.093818353 0.097474423 0.100163992 0.110649192 0.113001973 0.113136460 0.118310003 0.120034777 0.123782218 0.129836284 0.131946885 0.145127409 0.148822614 0.151488484 0.153476156 0.154463826 0.159556183 0.163325243 0.165259392 0.175086256 0.182688881 0.184578791 0.186930639 0.196015740 0.208994131 0.211745222 0.217740187 0.226726220 0.237110942 0.249639371 0.259887006 0.263630054 0.295016778 0.305574097 0.313061987 0.326251224 0.355058669 0.420207767 0.440136944 0.486317011 0.533857347 0.574734890 0.589304552 0.637038194 0.653881111 0.687006847 0.706430820 0.756778433 0.772237607 0.781825149 0.784506571 0.785926234 0.789995560 0.808341779 0.820814449 0.825104452 0.827043887 0.836707421 0.852190779 0.868748057 0.872951657 0.878971787 0.891869425 0.893524907 0.916718223 0.920120349 0.921547301 0.951502740 0.970069066 0.977131692 0.984281780 0.990351944 1.021172698 1.073091779 1.382539996 1.485937848</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">150</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.88926126" y3="-1.22748906" z3="1.84640985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.924443" y3="-1.60310823" z3="1.93189935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.27224804" y3="-2.03878996" z3="1.41825868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.89932541" y3="-0.39398262" z3="1.11951118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.36598189" y3="-0.77345701" z3="3.20689229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.31555048" y3="-0.43692043" z3="3.10295418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.3651107" y3="-1.62258685" z3="3.9099075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19823588" y3="0.34768898" z3="3.83056474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23863711" y3="-0.00421092" z3="3.93918442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22169756" y3="1.21387705" z3="3.13884721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6898722" y3="0.80296822" z3="5.19407472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21869889" y3="1.71790418" z3="5.53592273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6210522" y3="1.08538107" z3="5.12718309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87026742" y3="-0.22265937" z3="6.31830929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29577751" y3="-0.81809838" z3="8.70698475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27155308" y3="-1.31133046" z3="8.86268198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.04902673" y3="-0.29730971" z3="9.65789917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26230972" y3="-1.93334777" z3="8.46797789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56268296" y3="-2.47678464" z3="7.55263452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3123371" y3="-2.65857801" z3="9.30545117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16913008" y3="-1.42187559" z3="8.31036268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48841695" y3="-0.92388555" z3="9.2492703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17138259" y3="-0.63953975" z3="7.53037864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.19825728" y3="-2.49112743" z3="7.93170961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.17374096" y3="-2.0021478" z3="7.74492607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.8972353" y3="-2.95225404" z3="6.97162635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.38934728" y3="-3.58889246" z3="8.97849875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66498491" y3="-3.15616749" z3="9.95859209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.46545905" y3="-4.17527371" z3="9.12364512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.18900263" y3="-4.29301516" z3="8.68304701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49695493" y3="-1.28350166" z3="6.105493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41516335" y3="0.19155568" z3="7.5940603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70996214" y3="1.03112488" z3="7.6078685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32757362" y3="0.84456306" z3="5.87590741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54334025" y3="1.54205286" z3="5.54573361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26733294" y3="1.09241236" z3="5.34992865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.01829072" y3="-0.17521642" z3="5.58866775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49203819" y3="0.95114092" z3="7.39114736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72352181" y3="1.99699246" z3="7.6614966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35976634" y3="0.33665474" z3="7.70440004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26293983" y3="0.48390336" z3="8.17397596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94907592" y3="-0.49961479" z3="7.7793073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53794753" y3="0.32734213" z3="9.23406083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08877021" y3="1.48540226" z3="8.14240407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.12396376" y3="2.49301927" z3="7.41771641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56021516" y3="1.547638" z3="9.13011512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8893,-1.2275,1.8464;-3.9244,-1.6031,1.9319;-2.2722,-2.0388,1.4183;-2.8993,-.394,1.1195;-2.366,-.7735,3.2069;-1.3156,-.4369,3.103;-2.3651,-1.6226,3.9099;-3.1982,.3477,3.8306;-4.2386,-.0042,3.9392;-3.2217,1.2139,3.1388;-2.6899,.803,5.1941;-3.2187,1.7179,5.5359;-1.6211,1.0854,5.1272;-2.8703,-.2227,6.3183;-2.2958,-.8181,8.707;-3.2716,-1.3113,8.8627;-2.049,-.2973,9.6579;-1.2623,-1.9333,8.468;-1.5627,-2.4768,7.5526;-1.3123,-2.6586,9.3055;.1691,-1.4219,8.3104;.4884,-.9239,9.2493;.1714,-.6395,7.5304;1.1983,-2.4911,7.9317;2.1737,-2.0021,7.7449;.8972,-2.9523,6.9716;1.3893,-3.5889,8.9785;1.665,-3.1562,9.9586;.4655,-4.1753,9.1236;2.189,-4.293,8.683;-3.497,-1.2835,6.1055;-2.4152,.1916,7.5941;-1.71,1.0311,7.6079;-6.3276,.8446,5.8759;-5.5433,1.5421,5.5457;-7.2673,1.0924,5.3499;-6.0183,-.1752,5.5887;-6.492,.9511,7.3911;-6.7235,1.997,7.6615;-7.3598,.3367,7.7044;-5.2629,.4839,8.174;-4.9491,-.4996,7.7793;-5.5379,.3273,9.2341;-4.0888,1.4854,8.1424;-4.124,2.493,7.4177;-3.5602,1.5476,9.1301;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724445249118</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002462322864 0.000646799396 0.027405530678 0.008508986525</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046161376 -0.001256212 0.000366681 0.000525045 0.000789461 0.001038397 0.001222543 0.002397750 0.002614514 0.002956422 0.004504233 0.005601231 0.006384709 0.006841724 0.007074176 0.010133999 0.010923920 0.011435622 0.014770158 0.015924545 0.018818356 0.020655955 0.021223537 0.023730201 0.025771797 0.026560172 0.027025909 0.030395165 0.032479449 0.036086763 0.037308398 0.039551914 0.044261897 0.046473461 0.047760432 0.050195198 0.050814167 0.051654678 0.052684858 0.053254743 0.053648160 0.058160995 0.059922317 0.062436583 0.064080430 0.066301467 0.068578831 0.069338512 0.073013481 0.076797263 0.078715285 0.080187179 0.081278488 0.081652011 0.088432998 0.090066741 0.093818752 0.097810141 0.100263924 0.110654852 0.113081473 0.113161370 0.118338061 0.120045259 0.123875441 0.129916620 0.131963659 0.145170322 0.148971977 0.151505187 0.153474477 0.154472108 0.159555828 0.163369973 0.165271718 0.175433973 0.182868243 0.184580131 0.187115986 0.196018536 0.209159008 0.211750777 0.217746386 0.226724859 0.237126968 0.249707279 0.259890212 0.263757730 0.295548936 0.305574266 0.313133738 0.326254356 0.355060251 0.420209980 0.440473411 0.486365247 0.533860129 0.574759908 0.589327445 0.637049387 0.653881033 0.687053983 0.706544541 0.756785966 0.772340166 0.781834079 0.784582935 0.786013658 0.790016427 0.808445648 0.820825671 0.825276974 0.827230353 0.836975210 0.852209658 0.868756765 0.873423367 0.879001920 0.891914612 0.893563027 0.916909509 0.920120454 0.921642262 0.951504389 0.970075642 0.977141990 0.984816016 0.990377151 1.021478428 1.073097314 1.382540227 1.485945080</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">151</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.90214763" y3="-1.22073455" z3="1.83668799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.94246855" y3="-1.58732811" z3="1.92045208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.29213887" y3="-2.03753375" z3="1.40761349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.90348477" y3="-0.3839717" z3="1.1113172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.37526483" y3="-0.77424037" z3="3.19890133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.32266172" y3="-0.44247027" z3="3.09623212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.37921528" y3="-1.62642847" z3="3.89935783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20219904" y3="0.34870689" z3="3.82549337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24365945" y3="0.00016145" z3="3.93441203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22333753" y3="1.21649356" z3="3.13561947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69179652" y3="0.79963523" z3="5.18918355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21975566" y3="1.71361835" z3="5.53303231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62330995" y3="1.08139053" z3="5.12203519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87220679" y3="-0.22830153" z3="6.31119324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29627624" y3="-0.82959742" z3="8.69844624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27415152" y3="-1.32632534" z3="8.85205402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.06210542" y3="-0.31164159" z3="9.65017367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.2579578" y3="-1.93959739" z3="8.46273627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55043111" y3="-2.47863387" z3="7.54267362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30926488" y3="-2.66987476" z3="9.2950128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17191785" y3="-1.42282858" z3="8.31740567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48252484" y3="-0.92374255" z3="9.25874705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17675284" y3="-0.64043467" z3="7.5378982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.20863017" y3="-2.48844183" z3="7.94776693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.18281797" y3="-1.99538173" z3="7.76692849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.91657154" y3="-2.95320767" z3="6.98701723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.39815842" y3="-3.58293539" z3="8.99795586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66509997" y3="-3.14681813" z3="9.9786838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.47662568" y3="-4.17350523" z3="9.13801821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.20339859" y3="-4.28309297" z3="8.71045254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.501958" y3="-1.28714878" z3="6.09656538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41428115" y3="0.18187634" z3="7.58717648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70785392" y3="1.02012517" z3="7.60263484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32822839" y3="0.85516478" z3="5.88083603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53653824" y3="1.54479871" z3="5.54652649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26818281" y3="1.11339396" z3="5.35233059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.02062954" y3="-0.16483192" z3="5.58868617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49207764" y3="0.95368956" z3="7.39490236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72165172" y3="2.00050598" z3="7.66912274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3595851" y3="0.33982039" z3="7.70699663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.259604" y3="0.48190769" z3="8.17321901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95309151" y3="-0.50428254" z3="7.77597777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53117844" y3="0.32552085" z3="9.23771758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08515739" y3="1.48339729" z3="8.1397072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11706327" y3="2.49090189" z3="7.41530779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55555201" y3="1.54267873" z3="9.12667937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9021,-1.2207,1.8367;-3.9425,-1.5873,1.9205;-2.2921,-2.0375,1.4076;-2.9035,-.384,1.1113;-2.3753,-.7742,3.1989;-1.3227,-.4425,3.0962;-2.3792,-1.6264,3.8994;-3.2022,.3487,3.8255;-4.2437,.0002,3.9344;-3.2233,1.2165,3.1356;-2.6918,.7996,5.1892;-3.2198,1.7136,5.533;-1.6233,1.0814,5.122;-2.8722,-.2283,6.3112;-2.2963,-.8296,8.6984;-3.2742,-1.3263,8.8521;-2.0621,-.3116,9.6502;-1.258,-1.9396,8.4627;-1.5504,-2.4786,7.5427;-1.3093,-2.6699,9.295;.1719,-1.4228,8.3174;.4825,-.9237,9.2587;.1768,-.6404,7.5379;1.2086,-2.4884,7.9478;2.1828,-1.9954,7.7669;.9166,-2.9532,6.987;1.3982,-3.5829,8.998;1.6651,-3.1468,9.9787;.4766,-4.1735,9.138;2.2034,-4.2831,8.7105;-3.502,-1.2871,6.0966;-2.4143,.1819,7.5872;-1.7079,1.0201,7.6026;-6.3282,.8552,5.8808;-5.5365,1.5448,5.5465;-7.2682,1.1134,5.3523;-6.0206,-.1648,5.5887;-6.4921,.9537,7.3949;-6.7217,2.0005,7.6691;-7.3596,.3398,7.707;-5.2596,.4819,8.1732;-4.9531,-.5043,7.776;-5.5312,.3255,9.2377;-4.0852,1.4834,8.1397;-4.1171,2.4909,7.4153;-3.5556,1.5427,9.1267;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724435350636</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002269138984 0.000631400838 0.030513417517 0.008521752176</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046173511 -0.001106396 0.000385869 0.000525151 0.000789878 0.001045170 0.001222855 0.002409989 0.002616771 0.002968410 0.004505821 0.005602624 0.006449870 0.006902588 0.007114286 0.010160740 0.010923970 0.011507430 0.014849883 0.016177609 0.018823571 0.020703799 0.021239927 0.023730043 0.025777311 0.026568931 0.027026110 0.030395226 0.032492814 0.036097806 0.037308985 0.039552328 0.044264074 0.046474569 0.047760314 0.050195734 0.050821170 0.051734885 0.052710915 0.053258228 0.053683451 0.058160127 0.059926135 0.062492632 0.064116924 0.066305036 0.068593551 0.069340348 0.073013897 0.076798568 0.078719130 0.080194443 0.081279745 0.081659418 0.088437525 0.090079573 0.093820502 0.097997501 0.100358801 0.110699886 0.113117403 0.113312786 0.118387853 0.120062723 0.123967583 0.129962286 0.131992870 0.145195342 0.149111400 0.151518488 0.153475856 0.154508343 0.159555618 0.163401178 0.165279188 0.175756252 0.183039166 0.184587045 0.187352343 0.196035400 0.209344049 0.211761021 0.217761552 0.226722126 0.237150477 0.249761404 0.259893596 0.263893004 0.296132558 0.305574917 0.313164007 0.326265054 0.355087172 0.420222413 0.440858543 0.486399739 0.533860053 0.574796908 0.589370071 0.637064854 0.653890593 0.687093860 0.706852126 0.756797806 0.772549617 0.781854140 0.784715137 0.786162875 0.790050133 0.808534314 0.820852210 0.825367745 0.827394552 0.837170782 0.852241432 0.868772498 0.873942748 0.879121169 0.891948278 0.893592028 0.917096525 0.920120292 0.921670639 0.951510475 0.970087825 0.977139152 0.985136664 0.990460493 1.021923409 1.073102224 1.382542308 1.485946639</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">152</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91658816" y3="-1.21297703" z3="1.82727711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.95450337" y3="-1.58031065" z3="1.91250184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.30762275" y3="-2.02677545" z3="1.39347625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.92093234" y3="-0.37521914" z3="1.10507836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.38639465" y3="-0.77178223" z3="3.18922663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.33347024" y3="-0.44297767" z3="3.08482272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39059793" y3="-1.62509443" z3="3.887343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20791232" y3="0.35240739" z3="3.82136443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.25075883" y3="0.00790245" z3="3.93192138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22729183" y3="1.22225083" z3="3.13394887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69126133" y3="0.79777182" z3="5.18506784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21410046" y3="1.71396923" z3="5.53310434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62104642" y3="1.07471967" z3="5.11503218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87277555" y3="-0.23223401" z3="6.30518605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29746474" y3="-0.83845738" z3="8.69157228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2724514" y3="-1.33815749" z3="8.83477881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.06577772" y3="-0.32083739" z3="9.64687221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.25484554" y3="-1.94681311" z3="8.45968478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53952764" y3="-2.48773499" z3="7.53840189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31061753" y3="-2.67665564" z3="9.29262101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17549685" y3="-1.42589935" z3="8.32298154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.47641798" y3="-0.92315101" z3="9.26549611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.18394572" y3="-0.64537882" z3="7.54120047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.21895309" y3="-2.48862478" z3="7.96441131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.19256156" y3="-1.9921628" z3="7.78797204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.93536042" y3="-2.9585466" z3="7.00333367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.40627736" y3="-3.5779122" z3="9.02068557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66464369" y3="-3.13615294" z3="10.001439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.48644091" y3="-4.17250537" z3="9.15740921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.21673315" y3="-4.27598589" z3="8.74096596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50606444" y3="-1.28872285" z3="6.08968357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41148438" y3="0.17443072" z3="7.58119895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70247439" y3="1.01083233" z3="7.59694038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.33135938" y3="0.86189738" z3="5.87951664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54520775" y3="1.55707452" z3="5.54966185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27289085" y3="1.1177368" z3="5.35941817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.0289364" y3="-0.15800537" z3="5.58417156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48827544" y3="0.95849797" z3="7.39654824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71532401" y3="2.00356967" z3="7.67510556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35788942" y3="0.34618516" z3="7.71012062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25733117" y3="0.47943012" z3="8.16956656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9516531" y3="-0.50350972" z3="7.76635787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.52638026" y3="0.31718626" z3="9.23057528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.07961248" y3="1.4768441" z3="8.13670022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11220584" y3="2.48620762" z3="7.41430446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.54776947" y3="1.5341265" z3="9.12284143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9166,-1.213,1.8273;-3.9545,-1.5803,1.9125;-2.3076,-2.0268,1.3935;-2.9209,-.3752,1.1051;-2.3864,-.7718,3.1892;-1.3335,-.443,3.0848;-2.3906,-1.6251,3.8873;-3.2079,.3524,3.8214;-4.2508,.0079,3.9319;-3.2273,1.2223,3.1339;-2.6913,.7978,5.1851;-3.2141,1.714,5.5331;-1.621,1.0747,5.115;-2.8728,-.2322,6.3052;-2.2975,-.8385,8.6916;-3.2725,-1.3382,8.8348;-2.0658,-.3208,9.6469;-1.2548,-1.9468,8.4597;-1.5395,-2.4877,7.5384;-1.3106,-2.6767,9.2926;.1755,-1.4259,8.323;.4764,-.9232,9.2655;.1839,-.6454,7.5412;1.219,-2.4886,7.9644;2.1926,-1.9922,7.788;.9354,-2.9585,7.0033;1.4063,-3.5779,9.0207;1.6646,-3.1362,10.0014;.4864,-4.1725,9.1574;2.2167,-4.276,8.741;-3.5061,-1.2887,6.0897;-2.4115,.1744,7.5812;-1.7025,1.0108,7.5969;-6.3314,.8619,5.8795;-5.5452,1.5571,5.5497;-7.2729,1.1177,5.3594;-6.0289,-.158,5.5842;-6.4883,.9585,7.3965;-6.7153,2.0036,7.6751;-7.3579,.3462,7.7101;-5.2573,.4794,8.1696;-4.9517,-.5035,7.7664;-5.5264,.3172,9.2306;-4.0796,1.4768,8.1367;-4.1122,2.4862,7.4143;-3.5478,1.5341,9.1228;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724429201569</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001886614635 0.000519936608 0.029903740726 0.008495773198</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046177831 -0.000696596 0.000381098 0.000527234 0.000792835 0.001047965 0.001222316 0.002410669 0.002617427 0.002990990 0.004505564 0.005603376 0.006480763 0.006959807 0.007130189 0.010169514 0.010923676 0.011536789 0.014859462 0.016304597 0.018826039 0.020779015 0.021236178 0.023731908 0.025779357 0.026567414 0.027025349 0.030395018 0.032495903 0.036098766 0.037310358 0.039552833 0.044266473 0.046481068 0.047762570 0.050197692 0.050822898 0.051759642 0.052720033 0.053258983 0.053696606 0.058159827 0.059930896 0.062539339 0.064175742 0.066307585 0.068608151 0.069342790 0.073015301 0.076800370 0.078721718 0.080201296 0.081282441 0.081662713 0.088441934 0.090083137 0.093824041 0.098055192 0.100400716 0.110786117 0.113122956 0.113515681 0.118432100 0.120076510 0.124022902 0.129970921 0.132033206 0.145209675 0.149175060 0.151525043 0.153473831 0.154530891 0.159555082 0.163422878 0.165285823 0.175982660 0.183173325 0.184602106 0.187614842 0.196067245 0.209502233 0.211766410 0.217778009 0.226720955 0.237159841 0.249834341 0.259898296 0.264004252 0.296457361 0.305580532 0.313193691 0.326278901 0.355168422 0.420248114 0.441130451 0.486427651 0.533866209 0.574831700 0.589382430 0.637087114 0.653909491 0.687129065 0.707244372 0.756812731 0.772661014 0.781878107 0.784877928 0.786311035 0.790086095 0.808578956 0.820869313 0.825395611 0.827480555 0.837327068 0.852295240 0.868856268 0.874256800 0.879236973 0.891967435 0.893621442 0.917187821 0.920122531 0.921672872 0.951519399 0.970092792 0.977151353 0.985285167 0.990508978 1.022309618 1.073104825 1.382543578 1.485948314</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">153</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.90254869" y3="-1.22060546" z3="1.83720588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.93996799" y3="-1.59118731" z3="1.92246966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.29015933" y3="-2.03415662" z3="1.40689398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.90864405" y3="-0.38481492" z3="1.11217303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.37560621" y3="-0.77279611" z3="3.19844169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.32378535" y3="-0.44004622" z3="3.09440655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.37752265" y3="-1.62411955" z3="3.89922786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20270011" y3="0.34983247" z3="3.82578938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24425461" y3="0.0014254" z3="3.93509077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2240453" y3="1.2177678" z3="3.13611259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69097459" y3="0.80038714" z3="5.1894303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.21763292" y3="1.71538353" z3="5.53398686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62180154" y3="1.08086097" z3="5.12138903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.87164782" y3="-0.22755041" z3="6.3115146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29623013" y3="-0.82822172" z3="8.69919203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27256002" y3="-1.32468273" z3="8.85042493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.05905693" y3="-0.3093326" z3="9.65154899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.25834794" y3="-1.93968037" z3="8.46376704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55086478" y3="-2.48077288" z3="7.54503383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31064773" y3="-2.66809005" z3="9.29798042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1722424" y3="-1.42353368" z3="8.31699137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48288647" y3="-0.92385158" z3="9.257883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17729131" y3="-0.64163414" z3="7.53670887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.20830104" y3="-2.48958464" z3="7.94767207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.18283309" y3="-1.9970233" z3="7.76629181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.91583932" y3="-2.9545964" z3="6.98706764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.39737347" y3="-3.58363121" z3="8.99854637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66427625" y3="-3.14695282" z3="9.9791151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.47558952" y3="-4.17407567" z3="9.13901835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.20244458" y3="-4.28438934" z3="8.71106222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.50168244" y3="-1.28623633" z3="6.09719351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41328841" y3="0.18275441" z3="7.58731375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70662246" y3="1.02101195" z3="7.60225334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32881946" y3="0.85352876" z3="5.87879525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54160953" y3="1.54764669" z3="5.54713534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26934966" y3="1.1071515" z3="5.35374615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.0221071" y3="-0.16641683" z3="5.58742293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49068063" y3="0.95410215" z3="7.3942374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72046148" y3="2.0000153" z3="7.66857989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35898143" y3="0.34049468" z3="7.70728753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25984958" y3="0.48151728" z3="8.17234983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.95133222" y3="-0.50289766" z3="7.77424335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53164196" y3="0.32346289" z3="9.23432087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08475707" y3="1.48207719" z3="8.13926552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11825417" y3="2.4900732" z3="7.41522664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55460997" y3="1.54184344" z3="9.12608072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9025,-1.2206,1.8372;-3.94,-1.5912,1.9225;-2.2902,-2.0342,1.4069;-2.9086,-.3848,1.1122;-2.3756,-.7728,3.1984;-1.3238,-.44,3.0944;-2.3775,-1.6241,3.8992;-3.2027,.3498,3.8258;-4.2443,.0014,3.9351;-3.224,1.2178,3.1361;-2.691,.8004,5.1894;-3.2176,1.7154,5.534;-1.6218,1.0809,5.1214;-2.8716,-.2276,6.3115;-2.2962,-.8282,8.6992;-3.2726,-1.3247,8.8504;-2.0591,-.3093,9.6515;-1.2583,-1.9397,8.4638;-1.5509,-2.4808,7.545;-1.3106,-2.6681,9.298;.1722,-1.4235,8.317;.4829,-.9239,9.2579;.1773,-.6416,7.5367;1.2083,-2.4896,7.9477;2.1828,-1.997,7.7663;.9158,-2.9546,6.9871;1.3974,-3.5836,8.9985;1.6643,-3.147,9.9791;.4756,-4.1741,9.139;2.2024,-4.2844,8.7111;-3.5017,-1.2862,6.0972;-2.4133,.1828,7.5873;-1.7066,1.021,7.6023;-6.3288,.8535,5.8788;-5.5416,1.5476,5.5471;-7.2693,1.1072,5.3537;-6.0221,-.1664,5.5874;-6.4907,.9541,7.3942;-6.7205,2,7.6686;-7.359,.3405,7.7073;-5.2598,.4815,8.1723;-4.9513,-.5029,7.7742;-5.5316,.3235,9.2343;-4.0848,1.4821,8.1393;-4.1183,2.4901,7.4152;-3.5546,1.5418,9.1261;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724452912934</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000550736671 0.000150588986 0.046798458571 0.008529019688</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046103662 -0.002297145 0.000046997 0.000526208 0.000785977 0.000968090 0.001192147 0.002273062 0.002599713 0.002894570 0.004435764 0.005601474 0.005721518 0.006652813 0.007032977 0.010094116 0.010921232 0.011275516 0.014462755 0.015788194 0.018804090 0.020946536 0.021191395 0.023731890 0.025784405 0.026505593 0.027009975 0.030394719 0.032490361 0.036092055 0.037315121 0.039553635 0.044278287 0.046490255 0.047765175 0.050203821 0.050817017 0.051746968 0.052708940 0.053250618 0.053704212 0.058161671 0.059946578 0.062701201 0.064403749 0.066335022 0.068686783 0.069361289 0.073016849 0.076805364 0.078718866 0.080207760 0.081281304 0.081693529 0.088441260 0.090096512 0.093841427 0.098116427 0.100524210 0.111025760 0.113124540 0.114488400 0.118632524 0.120136771 0.124276920 0.129970299 0.132200177 0.145258479 0.149360526 0.151589453 0.153474825 0.154565497 0.159559513 0.163503631 0.165306985 0.176804845 0.183588994 0.184701876 0.189142895 0.196381107 0.210249918 0.211789066 0.218022930 0.226725544 0.237211919 0.250013810 0.259896615 0.264621624 0.297709902 0.305657410 0.313320150 0.326426776 0.355589072 0.420391565 0.442229952 0.486565903 0.533921615 0.574976816 0.589386754 0.637181211 0.653965832 0.687257652 0.708725089 0.756878217 0.772998712 0.781957875 0.785333318 0.787115938 0.790338496 0.808735964 0.820917296 0.825492406 0.827749375 0.837839536 0.852526064 0.869101817 0.875241256 0.879602645 0.892013704 0.893841675 0.917541601 0.920146500 0.921674676 0.951556681 0.970114245 0.977167064 0.985672610 0.990675884 1.023721596 1.073110420 1.382555172 1.485956155</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">154</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.91031014" y3="-1.222069" z3="1.83987198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.93397326" y3="-1.6206209" z3="1.94770654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.28325319" y3="-2.01763937" z3="1.39606163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.95544251" y3="-0.38906433" z3="1.11505309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.37038931" y3="-0.75813224" z3="3.19007979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.32524919" y3="-0.41338906" z3="3.06781139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.35114735" y3="-1.60462281" z3="3.89476687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.20217824" y3="0.35708626" z3="3.82549982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.24030341" y3="0.00196493" z3="3.94132557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23402115" y3="1.22635391" z3="3.13826808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68421239" y3="0.80578715" z3="5.18788817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.20693243" y3="1.72196205" z3="5.53594935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.61391746" y3="1.082023" z3="5.11675739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86449282" y3="-0.22331769" z3="6.30920614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29234913" y3="-0.82304377" z3="8.6979873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.27159434" y3="-1.31682246" z3="8.84995814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.05784157" y3="-0.30484511" z3="9.64943205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.25803017" y3="-1.93752163" z3="8.46661953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55200501" y3="-2.48297194" z3="7.55050381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31238816" y3="-2.66125785" z3="9.30477718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17348506" y3="-1.42560228" z3="8.31629108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.48572389" y3="-0.92166949" z3="9.2548673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17986201" y3="-0.64791941" z3="7.53138238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.2063536" y3="-2.49647974" z3="7.95090106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.18314813" y3="-2.00812505" z3="7.76990207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.91371273" y3="-2.9625991" z3="6.99060265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.38921028" y3="-3.58913365" z3="9.00446654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65360979" y3="-3.15124686" z3="9.98543559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.46523128" y3="-4.17682843" z3="9.14258947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.1937437" y3="-4.29253731" z3="8.72112579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.49211673" y3="-1.28308522" z3="6.09374248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.40895435" y3="0.18756391" z3="7.58577417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70403919" y3="1.02725128" z3="7.60167426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.33285885" y3="0.84480148" z3="5.88038714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54702119" y3="1.5399818" z3="5.54197764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.27572081" y3="1.09339117" z3="5.35372372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.0206674" y3="-0.17467254" z3="5.59059054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49064423" y3="0.94788306" z3="7.39263679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.71720624" y3="1.99602583" z3="7.6637297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35575577" y3="0.3335707" z3="7.70952178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25742443" y3="0.47941029" z3="8.16993756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94822052" y3="-0.50585047" z3="7.77386818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53149133" y3="0.32321548" z3="9.2330426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08380667" y3="1.48193675" z3="8.13725454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.11813921" y3="2.48958181" z3="7.41294604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55395114" y3="1.5417331" z3="9.12399337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9103,-1.2221,1.8399;-3.934,-1.6206,1.9477;-2.2833,-2.0176,1.3961;-2.9554,-.3891,1.1151;-2.3704,-.7581,3.1901;-1.3252,-.4134,3.0678;-2.3511,-1.6046,3.8948;-3.2022,.3571,3.8255;-4.2403,.002,3.9413;-3.234,1.2264,3.1383;-2.6842,.8058,5.1879;-3.2069,1.722,5.5359;-1.6139,1.082,5.1168;-2.8645,-.2233,6.3092;-2.2923,-.823,8.698;-3.2716,-1.3168,8.85;-2.0578,-.3048,9.6494;-1.258,-1.9375,8.4666;-1.552,-2.483,7.5505;-1.3124,-2.6613,9.3048;.1735,-1.4256,8.3163;.4857,-.9217,9.2549;.1799,-.6479,7.5314;1.2064,-2.4965,7.9509;2.1831,-2.0081,7.7699;.9137,-2.9626,6.9906;1.3892,-3.5891,9.0045;1.6536,-3.1512,9.9854;.4652,-4.1768,9.1426;2.1937,-4.2925,8.7211;-3.4921,-1.2831,6.0937;-2.409,.1876,7.5858;-1.704,1.0273,7.6017;-6.3329,.8448,5.8804;-5.547,1.54,5.542;-7.2757,1.0934,5.3537;-6.0207,-.1747,5.5906;-6.4906,.9479,7.3926;-6.7172,1.996,7.6637;-7.3558,.3336,7.7095;-5.2574,.4794,8.1699;-4.9482,-.5059,7.7739;-5.5315,.3232,9.233;-4.0838,1.4819,8.1373;-4.1181,2.4896,7.4129;-3.554,1.5417,9.124;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724421386798</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003470101728 0.000770443030 0.031520420115 0.008512831114</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046102702 -0.000276136 0.000136700 0.000526340 0.000850536 0.000988057 0.001208680 0.002301408 0.002600479 0.002974841 0.004438772 0.005658250 0.005875912 0.006653228 0.007049622 0.010109263 0.010945016 0.011283145 0.014469540 0.015787747 0.018812930 0.020946283 0.021195807 0.023738225 0.025794879 0.026504639 0.027012885 0.030401650 0.032493520 0.036092694 0.037318567 0.039555948 0.044290886 0.046490189 0.047769009 0.050213244 0.050823945 0.051747795 0.052725376 0.053251781 0.053704843 0.058162725 0.059947080 0.062762605 0.064460165 0.066368079 0.068694745 0.069363044 0.073021625 0.076805468 0.078720194 0.080206907 0.081297095 0.081738552 0.088594318 0.090101096 0.093862926 0.098199329 0.100527689 0.111085996 0.113170906 0.114514718 0.118644563 0.120141576 0.124296081 0.129969165 0.132216906 0.145259986 0.149362248 0.151595574 0.153482476 0.154584778 0.159558188 0.163509114 0.165309874 0.176861935 0.183703984 0.184763913 0.189405634 0.196405682 0.210345338 0.211862176 0.218236667 0.226736126 0.237213536 0.250010545 0.259915330 0.264676352 0.297842993 0.305671303 0.313323282 0.326480562 0.355665192 0.420394983 0.442307891 0.486572418 0.533967747 0.574977946 0.589524202 0.637181671 0.653967507 0.687258208 0.709017008 0.756880296 0.773071316 0.781968031 0.785393058 0.787297206 0.790340436 0.808821102 0.820964535 0.825493492 0.828009849 0.837918598 0.852528277 0.869108942 0.875552063 0.880342454 0.892168222 0.894071152 0.917608519 0.920158399 0.921674839 0.951558256 0.970133924 0.977162324 0.985809708 0.990673160 1.024404297 1.073181130 1.382555352 1.485957088</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">155</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.90243666" y3="-1.22419126" z3="1.84507607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.92478523" y3="-1.63012422" z3="1.95984999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.2730476" y3="-2.01841295" z3="1.40103024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.95689548" y3="-0.39111246" z3="1.11787226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.3557996" y3="-0.75226777" z3="3.191001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.31572835" y3="-0.39288116" z3="3.06096315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31962693" y3="-1.59893739" z3="3.89677683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19906439" y3="0.35209037" z3="3.82784478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23199943" y3="-0.01691539" z3="3.94423224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24230856" y3="1.22063471" z3="3.14024052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68813335" y3="0.80768877" z3="5.18964409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22001944" y3="1.71927993" z3="5.53303922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62141206" y3="1.09460328" z3="5.12051498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86305592" y3="-0.21991319" z3="6.31346168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.29100308" y3="-0.81082914" z3="8.70552647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26797962" y3="-1.30312707" z3="8.86440248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.04658709" y3="-0.28778611" z3="9.65437971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26030505" y3="-1.92858076" z3="8.47023398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56181196" y3="-2.47264088" z3="7.55588275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31152531" y3="-2.65187376" z3="9.30884413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.17312192" y3="-1.42369156" z3="8.31244789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.49370649" y3="-0.9227501" z3="9.24950151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17981092" y3="-0.64488902" z3="7.52933835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.19722129" y3="-2.50137262" z3="7.94084178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.17688374" y3="-2.01971168" z3="7.75793364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.89763871" y3="-2.96343761" z3="6.98097233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.37545896" y3="-3.59781921" z3="8.99097376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64517236" y3="-3.16394255" z3="9.97211649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.44815748" y3="-4.17999405" z3="9.12987253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.17459705" y3="-4.30582783" z3="8.70399389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48591335" y3="-1.28281675" z3="6.0994363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.40926483" y3="0.1956557" z3="7.58950445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70652217" y3="1.03726032" z3="7.60367092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32551249" y3="0.83196619" z3="5.87713612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54325056" y3="1.52866884" z3="5.54054343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2674125" y3="1.07492209" z3="5.35051049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.01191847" y3="-0.1878673" z3="5.5941505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48915736" y3="0.94369265" z3="7.39304947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72281258" y3="1.9902704" z3="7.66040556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3573433" y3="0.33103113" z3="7.70988191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25741534" y3="0.48030353" z3="8.17545394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94479249" y3="-0.50542635" z3="7.78427066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.52941893" y3="0.32904003" z3="9.23809753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08708618" y3="1.48694562" z3="8.13788932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.12654997" y3="2.49247708" z3="7.41057207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.55784207" y3="1.5530657" z3="9.12450682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.9024,-1.2242,1.8451;-3.9248,-1.6301,1.9598;-2.273,-2.0184,1.401;-2.9569,-.3911,1.1179;-2.3558,-.7523,3.191;-1.3157,-.3929,3.061;-2.3196,-1.5989,3.8968;-3.1991,.3521,3.8278;-4.232,-.0169,3.9442;-3.2423,1.2206,3.1402;-2.6881,.8077,5.1896;-3.22,1.7193,5.533;-1.6214,1.0946,5.1205;-2.8631,-.2199,6.3135;-2.291,-.8108,8.7055;-3.268,-1.3031,8.8644;-2.0466,-.2878,9.6544;-1.2603,-1.9286,8.4702;-1.5618,-2.4726,7.5559;-1.3115,-2.6519,9.3088;.1731,-1.4237,8.3124;.4937,-.9228,9.2495;.1798,-.6449,7.5293;1.1972,-2.5014,7.9408;2.1769,-2.0197,7.7579;.8976,-2.9634,6.981;1.3755,-3.5978,8.991;1.6452,-3.1639,9.9721;.4482,-4.18,9.1299;2.1746,-4.3058,8.704;-3.4859,-1.2828,6.0994;-2.4093,.1957,7.5895;-1.7065,1.0373,7.6037;-6.3255,.832,5.8771;-5.5433,1.5287,5.5405;-7.2674,1.0749,5.3505;-6.0119,-.1879,5.5942;-6.4892,.9437,7.393;-6.7228,1.9903,7.6604;-7.3573,.331,7.7099;-5.2574,.4803,8.1755;-4.9448,-.5054,7.7843;-5.5294,.329,9.2381;-4.0871,1.4869,8.1379;-4.1265,2.4925,7.4106;-3.5578,1.5531,9.1245;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724446960202</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002038301709 0.000434968504 0.029747979796 0.008508677601</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046098541 -0.000952840 0.000381199 0.000541784 0.000840698 0.000989118 0.001213367 0.002301708 0.002600186 0.003003577 0.004439414 0.005680485 0.006077601 0.006676009 0.007078716 0.010109014 0.010961169 0.011278863 0.014509799 0.015787927 0.018853068 0.020946498 0.021240349 0.023752169 0.025802334 0.026504919 0.027017338 0.030397227 0.032495190 0.036094705 0.037322675 0.039555749 0.044294749 0.046487929 0.047774257 0.050209204 0.050827204 0.051750114 0.052745442 0.053250398 0.053708050 0.058184281 0.059956298 0.062805580 0.064540161 0.066380859 0.068704248 0.069368164 0.073026855 0.076805513 0.078737556 0.080206905 0.081291552 0.081737686 0.088701125 0.090120364 0.093864601 0.098209550 0.100530981 0.111121447 0.113170281 0.114537281 0.118648578 0.120144197 0.124328663 0.129973755 0.132225064 0.145259617 0.149363676 0.151601590 0.153496712 0.154589666 0.159562083 0.163509580 0.165311324 0.176943566 0.183768281 0.184943221 0.189677117 0.196415913 0.210425121 0.211874275 0.218246869 0.226740523 0.237212359 0.250009414 0.259936240 0.264672939 0.297885913 0.305715787 0.313310117 0.326567506 0.355760115 0.420404258 0.442307001 0.486623923 0.534030514 0.574979894 0.589598024 0.637203908 0.653972177 0.687260013 0.709160285 0.756880422 0.773068941 0.781975843 0.785404775 0.787464640 0.790346158 0.808887689 0.820963697 0.825543159 0.828053231 0.837960640 0.852539162 0.869119013 0.875602701 0.880604659 0.892223203 0.894075247 0.917624335 0.920179047 0.921675580 0.951558101 0.970132731 0.977177739 0.985945289 0.990685254 1.024821367 1.073248777 1.382565016 1.485957843</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">156</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.88662045" y3="-1.22976308" z3="1.85458439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.9075647" y3="-1.63777215" z3="1.95964625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.25294822" y3="-2.02252342" z3="1.41827955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.93586942" y3="-0.39862152" z3="1.12562437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.35232626" y3="-0.75574994" z3="3.20355493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.31235803" y3="-0.39318213" z3="3.08086795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31841767" y3="-1.60240784" z3="3.90970635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.2010526" y3="0.34840854" z3="3.83464008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.23422718" y3="-0.02310527" z3="3.95026186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24503603" y3="1.21512711" z3="3.14462988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69171505" y3="0.80989001" z3="5.19575907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22549728" y3="1.72222789" z3="5.53779711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62434204" y3="1.09858941" z3="5.12611529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86406108" y3="-0.21537857" z3="6.32147315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28845347" y3="-0.80159461" z3="8.71300129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26812534" y3="-1.28886721" z3="8.88029648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.03846395" y3="-0.27855242" z3="9.65870637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26360965" y3="-1.92410813" z3="8.474099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57242626" y3="-2.46848972" z3="7.56282833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31384256" y3="-2.64595133" z3="9.31391266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16963495" y3="-1.42335564" z3="8.30688935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.49993312" y3="-0.92611287" z3="9.24251146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.17241936" y3="-0.64296278" z3="7.52488995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.18744629" y3="-2.50145698" z3="7.92452295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.1671748" y3="-2.02205945" z3="7.73533403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.87903628" y3="-2.95847763" z3="6.96499614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.36998202" y3="-3.60223805" z3="8.9697045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64805754" y3="-3.17360689" z3="9.95063343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.44173667" y3="-4.18165573" z3="9.11314912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.164351" y3="-4.31149381" z3="8.67424591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.4841118" y3="-1.28052199" z3="6.11061661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41114079" y3="0.20400375" z3="7.59645919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.70912522" y3="1.04622971" z3="7.6082902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32214025" y3="0.82503917" z3="5.87540042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53781469" y3="1.52034721" z3="5.53621284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26277219" y3="1.06591383" z3="5.34207487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00406746" y3="-0.19513531" z3="5.59636651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.48995003" y3="0.93988998" z3="7.38701438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.72511223" y3="1.9882105" z3="7.64951126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35304876" y3="0.32291487" z3="7.70332419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.25853707" y3="0.48456445" z3="8.17530409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94069516" y3="-0.5019916" z3="7.78903285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53614373" y3="0.33633216" z3="9.23800397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.08979293" y3="1.49218153" z3="8.13925704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1303022" y3="2.49728441" z3="7.41131026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.56202907" y3="1.56043775" z3="9.1270484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8866,-1.2298,1.8546;-3.9076,-1.6378,1.9596;-2.2529,-2.0225,1.4183;-2.9359,-.3986,1.1256;-2.3523,-.7557,3.2036;-1.3124,-.3932,3.0809;-2.3184,-1.6024,3.9097;-3.2011,.3484,3.8346;-4.2342,-.0231,3.9503;-3.245,1.2151,3.1446;-2.6917,.8099,5.1958;-3.2255,1.7222,5.5378;-1.6243,1.0986,5.1261;-2.8641,-.2154,6.3215;-2.2885,-.8016,8.713;-3.2681,-1.2889,8.8803;-2.0385,-.2786,9.6587;-1.2636,-1.9241,8.4741;-1.5724,-2.4685,7.5628;-1.3138,-2.646,9.3139;.1696,-1.4234,8.3069;.4999,-.9261,9.2425;.1724,-.643,7.5249;1.1874,-2.5015,7.9245;2.1672,-2.0221,7.7353;.879,-2.9585,6.965;1.37,-3.6022,8.9697;1.6481,-3.1736,9.9506;.4417,-4.1817,9.1131;2.1644,-4.3115,8.6742;-3.4841,-1.2805,6.1106;-2.4111,.204,7.5965;-1.7091,1.0462,7.6083;-6.3221,.825,5.8754;-5.5378,1.5203,5.5362;-7.2628,1.0659,5.3421;-6.0041,-.1951,5.5964;-6.49,.9399,7.387;-6.7251,1.9882,7.6495;-7.353,.3229,7.7033;-5.2585,.4846,8.1753;-4.9407,-.502,7.789;-5.5361,.3363,9.238;-4.0898,1.4922,8.1393;-4.1303,2.4973,7.4113;-3.562,1.5604,9.127;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724459583668</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001808360008 0.000479433452 0.031783786083 0.008509306522</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046092254 -0.000461234 0.000343299 0.000536621 0.000879600 0.000992803 0.001288034 0.002302378 0.002605587 0.003026001 0.004436348 0.005703226 0.006140383 0.006687391 0.007101795 0.010110263 0.010980783 0.011276144 0.014536036 0.015788359 0.018887181 0.020946494 0.021329352 0.023753307 0.025807311 0.026504598 0.027021476 0.030409844 0.032496474 0.036094019 0.037328123 0.039566132 0.044300738 0.046491776 0.047775783 0.050228442 0.050826433 0.051761382 0.052766054 0.053250456 0.053719826 0.058201308 0.059967526 0.062842140 0.064602433 0.066380465 0.068708396 0.069396372 0.073026136 0.076808392 0.078770277 0.080213595 0.081288942 0.081742848 0.088781474 0.090180645 0.093864663 0.098216874 0.100534648 0.111143047 0.113174278 0.114572368 0.118648519 0.120144381 0.124353855 0.129984058 0.132238700 0.145263627 0.149372472 0.151607599 0.153522015 0.154588727 0.159571070 0.163519831 0.165313811 0.177001039 0.183789449 0.185082884 0.189902898 0.196452477 0.210483470 0.211880172 0.218247552 0.226747974 0.237211112 0.250001357 0.259949302 0.264672204 0.297913515 0.305791848 0.313297042 0.326701612 0.355878521 0.420407758 0.442306104 0.486680523 0.534070925 0.574989224 0.589714330 0.637268481 0.653982375 0.687278039 0.709392476 0.756880386 0.773068141 0.781979938 0.785409322 0.787668905 0.790368338 0.808935766 0.820962764 0.825679276 0.828103460 0.837985529 0.852581570 0.869170700 0.875768374 0.880865689 0.892268306 0.894141455 0.917691207 0.920180105 0.921678811 0.951564379 0.970132540 0.977189350 0.986063858 0.990712854 1.025157709 1.073360770 1.382567138 1.485958100</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">157</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.87078762" y3="-1.23761229" z3="1.86274727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.89926189" y3="-1.63218153" z3="1.96253816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.24325474" y3="-2.04155485" z3="1.43386452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.90408563" y3="-0.4092839" z3="1.12972581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.34254184" y3="-0.76256796" z3="3.21490625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.29931584" y3="-0.40583134" z3="3.09906311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31915714" y3="-1.60730157" z3="3.92353582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.19163843" y3="0.34651025" z3="3.83768247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22557076" y3="-0.02307642" z3="3.94896153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23111676" y3="1.21084228" z3="3.14433691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6890339" y3="0.8117709" z3="5.19945505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.22670373" y3="1.72272616" z3="5.53696389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62308729" y3="1.10378816" z3="5.1335937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8630017" y3="-0.21150672" z3="6.32679504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2888554" y3="-0.79267475" z3="8.720146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26704879" y3="-1.2781154" z3="8.893457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.03001152" y3="-0.26740185" z3="9.6636038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.26748803" y3="-1.91708782" z3="8.47559538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58311136" y3="-2.45933258" z3="7.56513924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31364575" y3="-2.63968169" z3="9.31520827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16685109" y3="-1.42017843" z3="8.30111992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.50443248" y3="-0.92805448" z3="9.23658369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.16707848" y3="-0.63618018" z3="7.52305633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.17864038" y3="-2.5015065" z3="7.90737876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.15834191" y3="-2.02442622" z3="7.71403429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.86249559" y3="-2.9548742" z3="6.94876042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.36456363" y3="-3.60580524" z3="8.94804082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65103187" y3="-3.18030874" z3="9.92816503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.43567287" y3="-4.18292592" z3="9.09625699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.15461675" y3="-4.31702488" z3="8.64471328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48158954" y3="-1.27782755" z3="6.11662655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4130299" y3="0.21044108" z3="7.6013845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71390149" y3="1.05486189" z3="7.61299265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32215" y3="0.82050892" z3="5.87452396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54070644" y3="1.51892373" z3="5.53930813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26227395" y3="1.05821176" z3="5.34158508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00314978" y3="-0.1998572" z3="5.59740332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49354147" y3="0.93735141" z3="7.38862949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.7352865" y3="1.98380063" z3="7.65072301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35907119" y3="0.3195604" z3="7.70370269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26316822" y3="0.48487937" z3="8.17936884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94502291" y3="-0.50202725" z3="7.79540716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.53935633" y3="0.33804408" z3="9.24200383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.09720117" y3="1.49671377" z3="8.14066469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.13878404" y3="2.49938485" z3="7.4096884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.57074285" y3="1.56834406" z3="9.12844721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8708,-1.2376,1.8627;-3.8993,-1.6322,1.9625;-2.2433,-2.0416,1.4339;-2.9041,-.4093,1.1297;-2.3425,-.7626,3.2149;-1.2993,-.4058,3.0991;-2.3192,-1.6073,3.9235;-3.1916,.3465,3.8377;-4.2256,-.0231,3.949;-3.2311,1.2108,3.1443;-2.689,.8118,5.1995;-3.2267,1.7227,5.537;-1.6231,1.1038,5.1336;-2.863,-.2115,6.3268;-2.2889,-.7927,8.7201;-3.267,-1.2781,8.8935;-2.03,-.2674,9.6636;-1.2675,-1.9171,8.4756;-1.5831,-2.4593,7.5651;-1.3136,-2.6397,9.3152;.1669,-1.4202,8.3011;.5044,-.9281,9.2366;.1671,-.6362,7.5231;1.1786,-2.5015,7.9074;2.1583,-2.0244,7.714;.8625,-2.9549,6.9488;1.3646,-3.6058,8.948;1.651,-3.1803,9.9282;.4357,-4.1829,9.0963;2.1546,-4.317,8.6447;-3.4816,-1.2778,6.1166;-2.413,.2104,7.6014;-1.7139,1.0549,7.613;-6.3221,.8205,5.8745;-5.5407,1.5189,5.5393;-7.2623,1.0582,5.3416;-6.0031,-.1999,5.5974;-6.4935,.9374,7.3886;-6.7353,1.9838,7.6507;-7.3591,.3196,7.7037;-5.2632,.4849,8.1794;-4.945,-.502,7.7954;-5.5394,.338,9.242;-4.0972,1.4967,8.1407;-4.1388,2.4994,7.4097;-3.5707,1.5683,9.1284;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724474850444</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001484732145 0.000361175036 0.030881330025 0.008514037450</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046064152 -0.000354197 0.000143122 0.000534368 0.000890584 0.000951917 0.001311890 0.002301996 0.002595591 0.003084091 0.004406924 0.005638256 0.006162404 0.006662341 0.007121790 0.010075347 0.010940164 0.011250739 0.014609958 0.015780699 0.018933408 0.020949513 0.021489021 0.023729783 0.025796136 0.026477616 0.027019874 0.030433441 0.032471202 0.036118862 0.037337747 0.039571176 0.044302841 0.046493662 0.047789507 0.050255147 0.050821363 0.051812576 0.052788745 0.053263088 0.053758633 0.058189330 0.059965248 0.062868902 0.064640594 0.066380946 0.068706589 0.069405925 0.073025918 0.076816209 0.078790263 0.080215524 0.081303481 0.081742195 0.088765550 0.090170586 0.093866925 0.098265216 0.100540048 0.111132742 0.113177740 0.114685466 0.118644102 0.120146141 0.124353780 0.130003238 0.132265053 0.145263009 0.149376364 0.151605261 0.153551397 0.154585767 0.159576255 0.163556198 0.165320450 0.177023519 0.183801821 0.185103105 0.190065334 0.196488756 0.210517397 0.211888182 0.218253441 0.226747406 0.237197238 0.250010415 0.259959365 0.264651871 0.297940198 0.305852673 0.313228002 0.326715072 0.356001180 0.420412058 0.442349819 0.486690470 0.534080232 0.574984772 0.589717954 0.637266680 0.653984303 0.687284124 0.709637588 0.756880119 0.773076184 0.782001255 0.785419220 0.787954728 0.790402441 0.808946220 0.820963463 0.825777158 0.828162612 0.837991989 0.852609101 0.869151656 0.875701733 0.880838385 0.892289628 0.894160114 0.917703926 0.920189055 0.921698845 0.951579769 0.970143114 0.977218517 0.986077048 0.990738384 1.025284524 1.073337427 1.382565008 1.485961598</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">158</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8534544" y3="-1.24592838" z3="1.87298633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.88210544" y3="-1.63921067" z3="1.96134298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.221894" y3="-2.04970979" z3="1.45346633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.87761741" y3="-0.41862791" z3="1.13791124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.33830061" y3="-0.7711192" z3="3.22943577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.292582" y3="-0.41976619" z3="3.12360073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32597744" y3="-1.61390768" z3="3.94098677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18773616" y3="0.34361817" z3="3.84051586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.22433073" y3="-0.02038662" z3="3.94634222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21785137" y3="1.20502777" z3="3.14286123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69205546" y3="0.81324461" z3="5.20338316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23285886" y3="1.72374931" z3="5.53724285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6265176" y3="1.10763977" z3="5.14017117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86629943" y3="-0.207982" z3="6.33252354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28767038" y3="-0.78578339" z3="8.72630008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26720158" y3="-1.2683644" z3="8.90619497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.02494584" y3="-0.26004315" z3="9.66708626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27025531" y3="-1.91328606" z3="8.47950094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59093229" y3="-2.45856861" z3="7.57287299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31409515" y3="-2.63270496" z3="9.32188154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16315178" y3="-1.41794309" z3="8.29468831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.50882471" y3="-0.92679023" z3="9.22827687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.15873152" y3="-0.63361914" z3="7.5164995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.17035724" y3="-2.49846888" z3="7.89142424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.15021609" y3="-2.0228639" z3="7.69289663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.84687825" y3="-2.94676212" z3="6.93274891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.36074591" y3="-3.60830887" z3="8.92522448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65529472" y3="-3.18855438" z3="9.90525635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.43049836" y3="-4.18259821" z3="9.07722026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.14657462" y3="-4.32036494" z3="8.61383195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.48449921" y3="-1.27471852" z3="6.12359024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41545864" y3="0.21607316" z3="7.60674301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.71722497" y3="1.06148063" z3="7.61627896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32278522" y3="0.81957288" z3="5.87491149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53996213" y3="1.51751045" z3="5.53897643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26225428" y3="1.05666912" z3="5.3386435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-6.00033725" y3="-0.1998647" z3="5.5978217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49683155" y3="0.93577663" z3="7.38678472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.73864843" y3="1.98256634" z3="7.64735899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35869605" y3="0.31529689" z3="7.70130243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26606437" y3="0.48703595" z3="8.17966172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94273153" y3="-0.49928142" z3="7.79701483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54590447" y3="0.34033932" z3="9.24170956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1008534" y3="1.49852525" z3="8.1446486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.14279102" y3="2.50178273" z3="7.41433523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.57551808" y3="1.57007466" z3="9.13343235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8535,-1.2459,1.873;-3.8821,-1.6392,1.9613;-2.2219,-2.0497,1.4535;-2.8776,-.4186,1.1379;-2.3383,-.7711,3.2294;-1.2926,-.4198,3.1236;-2.326,-1.6139,3.941;-3.1877,.3436,3.8405;-4.2243,-.0204,3.9463;-3.2179,1.205,3.1429;-2.6921,.8132,5.2034;-3.2329,1.7237,5.5372;-1.6265,1.1076,5.1402;-2.8663,-.208,6.3325;-2.2877,-.7858,8.7263;-3.2672,-1.2684,8.9062;-2.0249,-.26,9.6671;-1.2703,-1.9133,8.4795;-1.5909,-2.4586,7.5729;-1.3141,-2.6327,9.3219;.1632,-1.4179,8.2947;.5088,-.9268,9.2283;.1587,-.6336,7.5165;1.1704,-2.4985,7.8914;2.1502,-2.0229,7.6929;.8469,-2.9468,6.9327;1.3607,-3.6083,8.9252;1.6553,-3.1886,9.9053;.4305,-4.1826,9.0772;2.1466,-4.3204,8.6138;-3.4845,-1.2747,6.1236;-2.4155,.2161,7.6067;-1.7172,1.0615,7.6163;-6.3228,.8196,5.8749;-5.54,1.5175,5.539;-7.2623,1.0567,5.3386;-6.0003,-.1999,5.5978;-6.4968,.9358,7.3868;-6.7386,1.9826,7.6474;-7.3587,.3153,7.7013;-5.2661,.487,8.1797;-4.9427,-.4993,7.797;-5.5459,.3403,9.2417;-4.1009,1.4985,8.1446;-4.1428,2.5018,7.4143;-3.5755,1.5701,9.1334;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724485387487</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001192693841 0.000314232846 0.023307423037 0.008512355897</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046021016 -0.000690702 0.000239937 0.000353443 0.000741131 0.000976668 0.001334836 0.002320502 0.002520889 0.003221759 0.004459221 0.005476065 0.006139548 0.006635040 0.007124585 0.010067497 0.010890387 0.011242678 0.014194431 0.015791099 0.018843210 0.020941979 0.021452515 0.023496018 0.025730547 0.026340521 0.027013293 0.030398530 0.032473512 0.035942358 0.037357939 0.039558446 0.044245618 0.046502972 0.047805040 0.050290120 0.050820755 0.051774181 0.052818212 0.053299902 0.053832779 0.058203384 0.059968261 0.062879030 0.064671660 0.066387991 0.068689761 0.069412438 0.073031259 0.076807329 0.078772791 0.080228972 0.081217705 0.081741523 0.088799221 0.090215137 0.093872471 0.098323982 0.100562729 0.111179085 0.113186673 0.114757652 0.118644992 0.120115044 0.124336266 0.130035606 0.132283489 0.145257288 0.149383388 0.151611712 0.153541566 0.154558425 0.159581418 0.163580882 0.165337361 0.176899351 0.183873158 0.185108874 0.190096735 0.196630431 0.210515743 0.211925631 0.218226145 0.226704775 0.237213731 0.249990142 0.259945386 0.264642689 0.297949748 0.305867712 0.313112449 0.326734537 0.355908422 0.420411157 0.442347605 0.486700567 0.534098902 0.574979358 0.589742015 0.637269239 0.653985028 0.687307370 0.709747735 0.756879648 0.773069100 0.781983068 0.785426631 0.787861067 0.790415239 0.808951788 0.820959661 0.825823947 0.828221018 0.838013194 0.852598631 0.869195714 0.875703396 0.880867685 0.892293444 0.894185083 0.917748972 0.920199808 0.921717681 0.951598022 0.970135487 0.977117199 0.986132132 0.990674292 1.025237032 1.073252828 1.382572016 1.485963584</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">159</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.84235134" y3="-1.25137056" z3="1.88099174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.87125175" y3="-1.6459878" z3="1.9728169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.21000007" y3="-2.05764744" z3="1.46341859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.86883576" y3="-0.4273025" z3="1.14283363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32729379" y3="-0.76844452" z3="3.23522642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.28363364" y3="-0.41180255" z3="3.12698472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30947034" y3="-1.60871333" z3="3.94902593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.18199309" y3="0.34354538" z3="3.84476499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21654549" y3="-0.02571401" z3="3.95166046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21743012" y3="1.20335162" z3="3.14581568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68765262" y3="0.81764068" z3="5.20701325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23085315" y3="1.72793271" z3="5.53887228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62228788" y3="1.1140557" z3="5.14404748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86102189" y3="-0.20193023" z3="6.33767673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28607456" y3="-0.77292889" z3="8.73377956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26500852" y3="-1.25086408" z3="8.9232122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-2.01136404" y3="-0.24391728" z3="9.67086465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27469649" y3="-1.90463919" z3="8.48281993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60484876" y3="-2.4485381" z3="7.57851784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31491417" y3="-2.62332512" z3="9.32615811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15996914" y3="-1.41726287" z3="8.28925416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.51426327" y3="-0.93179726" z3="9.22160758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1535485" y3="-0.63013593" z3="7.51456528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.15835988" y3="-2.50343207" z3="7.87607312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.13881901" y3="-2.03238754" z3="7.67274423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.82679703" y3="-2.94826963" z3="6.91874815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.34917533" y3="-3.61514073" z3="8.90816682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65001235" y3="-3.19810162" z3="9.88757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.41824819" y3="-4.18684885" z3="9.0638802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.13074348" y3="-4.3295919" z3="8.59052453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47466276" y3="-1.27163246" z3="6.12946828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41590576" y3="0.22622648" z3="7.61176847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72058175" y3="1.07364995" z3="7.62151536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32073023" y3="0.80716984" z3="5.87373283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54261413" y3="1.50945208" z3="5.53809016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26050853" y3="1.0372278" z3="5.3372991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9938628" y3="-0.21145573" z3="5.60055165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49760893" y3="0.92770317" z3="7.38654849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.74752203" y3="1.97317262" z3="7.64397078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35916218" y3="0.30451589" z3="7.70065199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2663606" y3="0.48675664" z3="8.18253571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94247461" y3="-0.50011776" z3="7.80416138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54392869" y3="0.34322218" z3="9.24520228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10619928" y3="1.50535421" z3="8.14259752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15120512" y3="2.50530988" z3="7.40810901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58305013" y3="1.58346935" z3="9.13205007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8424,-1.2514,1.881;-3.8713,-1.646,1.9728;-2.21,-2.0576,1.4634;-2.8688,-.4273,1.1428;-2.3273,-.7684,3.2352;-1.2836,-.4118,3.127;-2.3095,-1.6087,3.949;-3.182,.3435,3.8448;-4.2165,-.0257,3.9517;-3.2174,1.2034,3.1458;-2.6877,.8176,5.207;-3.2309,1.7279,5.5389;-1.6223,1.1141,5.144;-2.861,-.2019,6.3377;-2.2861,-.7729,8.7338;-3.265,-1.2509,8.9232;-2.0114,-.2439,9.6709;-1.2747,-1.9046,8.4828;-1.6048,-2.4485,7.5785;-1.3149,-2.6233,9.3262;.16,-1.4173,8.2893;.5143,-.9318,9.2216;.1535,-.6301,7.5146;1.1584,-2.5034,7.8761;2.1388,-2.0324,7.6727;.8268,-2.9483,6.9187;1.3492,-3.6151,8.9082;1.65,-3.1981,9.8876;.4182,-4.1868,9.0639;2.1307,-4.3296,8.5905;-3.4747,-1.2716,6.1295;-2.4159,.2262,7.6118;-1.7206,1.0736,7.6215;-6.3207,.8072,5.8737;-5.5426,1.5095,5.5381;-7.2605,1.0372,5.3373;-5.9939,-.2115,5.6006;-6.4976,.9277,7.3865;-6.7475,1.9732,7.644;-7.3592,.3045,7.7007;-5.2664,.4868,8.1825;-4.9425,-.5001,7.8042;-5.5439,.3432,9.2452;-4.1062,1.5054,8.1426;-4.1512,2.5053,7.4081;-3.5831,1.5835,9.1321;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724487832825</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001244927506 0.000378733377 0.023519642537 0.008510762485</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046099619 -0.000449583 0.000124726 0.000394198 0.000760569 0.000975003 0.001300727 0.002313970 0.002561514 0.003219140 0.004494733 0.005468079 0.006146580 0.006642012 0.007121593 0.010029673 0.010820098 0.011262646 0.014183909 0.015801756 0.018875371 0.020951926 0.021472029 0.023446005 0.025691049 0.026284700 0.027017952 0.030394514 0.032450264 0.035934903 0.037371751 0.039558507 0.044264269 0.046502649 0.047814531 0.050309892 0.050817483 0.051786543 0.052848032 0.053329974 0.053973042 0.058219432 0.059976410 0.062909002 0.064678282 0.066384041 0.068696536 0.069417149 0.073041857 0.076815693 0.078768726 0.080252946 0.081272276 0.081743057 0.088790713 0.090174799 0.093878031 0.098452910 0.100604775 0.111151299 0.113185819 0.114859647 0.118633120 0.120108533 0.124315784 0.130036680 0.132309236 0.145260322 0.149385062 0.151616636 0.153545947 0.154528039 0.159593514 0.163689674 0.165379716 0.176883670 0.183925284 0.185120235 0.190246621 0.196662405 0.210513865 0.211986690 0.218193115 0.226715644 0.237212158 0.249991704 0.259944480 0.264652904 0.297980519 0.305904465 0.313070321 0.326736757 0.355965822 0.420415257 0.442364170 0.486712003 0.534172422 0.574982811 0.589787863 0.637268290 0.653993176 0.687376962 0.709913072 0.756881413 0.773099703 0.781989340 0.785458639 0.787922553 0.790426754 0.808988177 0.820964146 0.825908030 0.828487295 0.838099729 0.852599461 0.869282894 0.875755335 0.880848467 0.892339483 0.894167584 0.917877506 0.920202549 0.921914644 0.951640311 0.970138619 0.977086552 0.986375901 0.990705303 1.025404405 1.073152367 1.382606900 1.485966645</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">160</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82905196" y3="-1.25339283" z3="1.88708609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.85523735" y3="-1.65408577" z3="1.9762905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.19074043" y3="-2.05498995" z3="1.47285988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.85843836" y3="-0.43040558" z3="1.14743236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.3195101" y3="-0.76657042" z3="3.24165802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2764926" y3="-0.40684641" z3="3.13544982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30111696" y3="-1.60564064" z3="3.95749488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17953786" y3="0.34387711" z3="3.84572992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.21330787" y3="-0.02818961" z3="3.95025407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21506666" y3="1.20216304" z3="3.14453366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69168893" y3="0.82296689" z3="5.20782968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24238466" y3="1.72893133" z3="5.53741751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62933469" y3="1.12793435" z3="5.14669174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85939764" y3="-0.19517563" z3="6.34042195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27737611" y3="-0.75625453" z3="8.73949817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25826906" y3="-1.22734444" z3="8.9424516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99358962" y3="-0.22485836" z3="9.67022315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.27538154" y3="-1.89629133" z3="8.48584541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61315412" y3="-2.44343966" z3="7.58687828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31589795" y3="-2.60948354" z3="9.33352551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.16109352" y3="-1.41718451" z3="8.27988179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52512149" y3="-0.92628207" z3="9.20716447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.15610202" y3="-0.63545321" z3="7.49881963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.15055355" y3="-2.51066827" z3="7.86742494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.13507166" y3="-2.04759479" z3="7.66162551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.81339224" y3="-2.95409804" z3="6.91116942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33408133" y3="-3.62469906" z3="8.89781205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63886862" y3="-3.20972196" z3="9.87699392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39821287" y3="-4.1892408" z3="9.05371127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.11023806" y3="-4.34503197" z3="8.58094551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46890253" y3="-1.26750583" z3="6.13525895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41434487" y3="0.23867484" z3="7.61399599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72078114" y3="1.08813298" z3="7.61855303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32505175" y3="0.79804252" z3="5.87639471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55127259" y3="1.50476846" z3="5.53826969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26801675" y3="1.02140075" z3="5.3397512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.99088086" y3="-0.21891569" z3="5.60298023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50007505" y3="0.9182988" z3="7.38819675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75383949" y3="1.963464" z3="7.64359159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35572305" y3="0.28983369" z3="7.70596933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2647624" y3="0.4845221" z3="8.18208434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93285691" y3="-0.50049275" z3="7.80307388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54292816" y3="0.33847782" z3="9.24496709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10707307" y3="1.50518612" z3="8.14167782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15906513" y3="2.50489439" z3="7.40600278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58615596" y3="1.58874472" z3="9.13200015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8291,-1.2534,1.8871;-3.8552,-1.6541,1.9763;-2.1907,-2.055,1.4729;-2.8584,-.4304,1.1474;-2.3195,-.7666,3.2417;-1.2765,-.4068,3.1354;-2.3011,-1.6056,3.9575;-3.1795,.3439,3.8457;-4.2133,-.0282,3.9503;-3.2151,1.2022,3.1445;-2.6917,.823,5.2078;-3.2424,1.7289,5.5374;-1.6293,1.1279,5.1467;-2.8594,-.1952,6.3404;-2.2774,-.7563,8.7395;-3.2583,-1.2273,8.9425;-1.9936,-.2249,9.6702;-1.2754,-1.8963,8.4858;-1.6132,-2.4434,7.5869;-1.3159,-2.6095,9.3335;.1611,-1.4172,8.2799;.5251,-.9263,9.2072;.1561,-.6355,7.4988;1.1506,-2.5107,7.8674;2.1351,-2.0476,7.6616;.8134,-2.9541,6.9112;1.3341,-3.6247,8.8978;1.6389,-3.2097,9.877;.3982,-4.1892,9.0537;2.1102,-4.345,8.5809;-3.4689,-1.2675,6.1353;-2.4143,.2387,7.614;-1.7208,1.0881,7.6186;-6.3251,.798,5.8764;-5.5513,1.5048,5.5383;-7.268,1.0214,5.3398;-5.9909,-.2189,5.603;-6.5001,.9183,7.3882;-6.7538,1.9635,7.6436;-7.3557,.2898,7.706;-5.2648,.4845,8.1821;-4.9329,-.5005,7.8031;-5.5429,.3385,9.245;-4.1071,1.5052,8.1417;-4.1591,2.5049,7.406;-3.5862,1.5887,9.132;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724487876250</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001493913431 0.000402602214 0.031475557716 0.008507575241</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046101234 -0.000524358 0.000215820 0.000490939 0.000771616 0.000977153 0.001306001 0.002332117 0.002610884 0.003232386 0.004581830 0.005519967 0.006148557 0.006648801 0.007127227 0.010074008 0.010820007 0.011260740 0.014206526 0.015802551 0.018894609 0.020957400 0.021472111 0.023449166 0.025696006 0.026284368 0.027019474 0.030394010 0.032446554 0.035935271 0.037388219 0.039559357 0.044276287 0.046504080 0.047840995 0.050319850 0.050820630 0.051801582 0.052867437 0.053348287 0.054141096 0.058238652 0.059984977 0.062961189 0.064679641 0.066387225 0.068703048 0.069434126 0.073050233 0.076818084 0.078771900 0.080265422 0.081311566 0.081749020 0.088815609 0.090212284 0.093881061 0.098465769 0.100623750 0.111153224 0.113188050 0.114858246 0.118634410 0.120136234 0.124319540 0.130036873 0.132322710 0.145270033 0.149385498 0.151618015 0.153546327 0.154526854 0.159601560 0.163803471 0.165445199 0.176894298 0.183927306 0.185122094 0.190345252 0.196809484 0.210511159 0.212044178 0.218194708 0.226738275 0.237216833 0.249976321 0.259944054 0.264661382 0.297988818 0.305906565 0.313068172 0.326751201 0.355997950 0.420441154 0.442369886 0.486719326 0.534209168 0.574988538 0.589812037 0.637295895 0.654010088 0.687476586 0.710004272 0.756884389 0.773129439 0.781987849 0.785465408 0.787944023 0.790441415 0.809015183 0.820965235 0.825972800 0.828714831 0.838098572 0.852599746 0.869464624 0.875783284 0.880868774 0.892355859 0.894185974 0.917962850 0.920203448 0.922068696 0.951708250 0.970138082 0.977108127 0.986442290 0.990752633 1.025558182 1.073154386 1.382654911 1.485968979</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">161</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81218417" y3="-1.26130625" z3="1.89640243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83756818" y3="-1.66451791" z3="1.98231552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17003765" y3="-2.06260789" z3="1.48634837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.84070976" y3="-0.4401443" z3="1.15510618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.310311" y3="-0.77028628" z3="3.25207597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26798248" y3="-0.40863189" z3="3.14993032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29313372" y3="-1.6071968" z3="3.96989218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17490621" y3="0.3398766" z3="3.85020593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20807869" y3="-0.03416167" z3="3.95382639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21085702" y3="1.1953678" z3="3.14594595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6902222" y3="0.82495103" z3="5.21198005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24326394" y3="1.73129729" z3="5.53821972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62767291" y3="1.13160789" z3="5.15096483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85739611" y3="-0.19069564" z3="6.34682819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27922883" y3="-0.74812177" z3="8.74587514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25920466" y3="-1.21785086" z3="8.95162018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98939321" y3="-0.21507582" z3="9.67567715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28021926" y3="-1.88915805" z3="8.48853123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62687909" y3="-2.43463902" z3="7.59097273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31592282" y3="-2.60295431" z3="9.33602189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15582845" y3="-1.41470489" z3="8.27448613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52726124" y3="-0.93109405" z3="9.20104251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.14551059" y3="-0.62902278" z3="7.49832062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13808696" y3="-2.51086071" z3="7.84872756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.12179828" y3="-2.05012519" z3="7.63720561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.79199756" y3="-2.9493799" z3="6.89350286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32625005" y3="-3.62739593" z3="8.87592442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63897537" y3="-3.21687614" z3="9.85423296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39127452" y3="-4.19067024" z3="9.03704075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09813382" y3="-4.34834384" z3="8.54946995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46456191" y3="-1.26493171" z3="6.14292174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41552617" y3="0.24554269" z3="7.61943965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72475154" y3="1.09669343" z3="7.62532976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32237243" y3="0.79056183" z3="5.87608896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55068508" y3="1.49858713" z3="5.53690302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26397226" y3="1.01039643" z3="5.33853196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98603566" y3="-0.22610994" z3="5.60617768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49980608" y3="0.91496722" z3="7.38808875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75716484" y3="1.95988983" z3="7.64123113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35589034" y3="0.28638482" z3="7.70422552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26557103" y3="0.48584313" z3="8.18632318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93553095" y3="-0.50051527" z3="7.81167295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54240369" y3="0.34458656" z3="9.24943945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11286702" y3="1.5128261" z3="8.1435699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16456029" y3="2.50990336" z3="7.40559287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59221447" y3="1.59855212" z3="9.13365797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8122,-1.2613,1.8964;-3.8376,-1.6645,1.9823;-2.17,-2.0626,1.4863;-2.8407,-.4401,1.1551;-2.3103,-.7703,3.2521;-1.268,-.4086,3.1499;-2.2931,-1.6072,3.9699;-3.1749,.3399,3.8502;-4.2081,-.0342,3.9538;-3.2109,1.1954,3.1459;-2.6902,.825,5.212;-3.2433,1.7313,5.5382;-1.6277,1.1316,5.151;-2.8574,-.1907,6.3468;-2.2792,-.7481,8.7459;-3.2592,-1.2179,8.9516;-1.9894,-.2151,9.6757;-1.2802,-1.8892,8.4885;-1.6269,-2.4346,7.591;-1.3159,-2.603,9.336;.1558,-1.4147,8.2745;.5273,-.9311,9.201;.1455,-.629,7.4983;1.1381,-2.5109,7.8487;2.1218,-2.0501,7.6372;.792,-2.9494,6.8935;1.3263,-3.6274,8.8759;1.639,-3.2169,9.8542;.3913,-4.1907,9.037;2.0981,-4.3483,8.5495;-3.4646,-1.2649,6.1429;-2.4155,.2455,7.6194;-1.7248,1.0967,7.6253;-6.3224,.7906,5.8761;-5.5507,1.4986,5.5369;-7.264,1.0104,5.3385;-5.986,-.2261,5.6062;-6.4998,.915,7.3881;-6.7572,1.9599,7.6412;-7.3559,.2864,7.7042;-5.2656,.4858,8.1863;-4.9355,-.5005,7.8117;-5.5424,.3446,9.2494;-4.1129,1.5128,8.1436;-4.1646,2.5099,7.4056;-3.5922,1.5986,9.1337;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724495163081</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001227475852 0.000341783252 0.032085843745 0.008510615930</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.046100018 -0.000385626 0.000203241 0.000492561 0.000768235 0.000976673 0.001305218 0.002338857 0.002636769 0.003235773 0.004645528 0.005564730 0.006150146 0.006665116 0.007132888 0.010112182 0.010820693 0.011258472 0.014211884 0.015805586 0.018901217 0.020960749 0.021474136 0.023448153 0.025704038 0.026284144 0.027021187 0.030394783 0.032443608 0.035934444 0.037403635 0.039561193 0.044289340 0.046507900 0.047867811 0.050320339 0.050828861 0.051812197 0.052889127 0.053368437 0.054414810 0.058246585 0.059992325 0.062976375 0.064678216 0.066386960 0.068703619 0.069447542 0.073056384 0.076818027 0.078773308 0.080277249 0.081360632 0.081759312 0.088829082 0.090247163 0.093881913 0.098466709 0.100642567 0.111153291 0.113187905 0.114863391 0.118634429 0.120156315 0.124319589 0.130036890 0.132332430 0.145275903 0.149386402 0.151619739 0.153557284 0.154529397 0.159606549 0.163881767 0.165522651 0.176895379 0.183937579 0.185122262 0.190483477 0.196921754 0.210521300 0.212052919 0.218197097 0.226779224 0.237215096 0.249988799 0.259942988 0.264681758 0.297995768 0.305908189 0.313056679 0.326781235 0.356003467 0.420493350 0.442373124 0.486726545 0.534246228 0.574988752 0.589824131 0.637311648 0.654028107 0.687591860 0.710036886 0.756890164 0.773165322 0.782000850 0.785472258 0.787947934 0.790451209 0.809043290 0.821005090 0.825988157 0.828872128 0.838098496 0.852601046 0.869535179 0.875810961 0.880872413 0.892377382 0.894191191 0.917985588 0.920215047 0.922250734 0.951772742 0.970137214 0.977144210 0.986521937 0.990823224 1.025592440 1.073176655 1.382766585 1.485973229</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">162</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80280577" y3="-1.27003447" z3="1.90768407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82908927" y3="-1.67214773" z3="1.9959039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.1612246" y3="-2.07432992" z3="1.50127025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83048342" y3="-0.45219263" z3="1.16234217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30048522" y3="-0.77205154" z3="3.26113212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25934349" y3="-0.40711208" z3="3.15635812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27964876" y3="-1.60664644" z3="3.9815145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16887252" y3="0.33666946" z3="3.85649311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20069523" y3="-0.04089107" z3="3.9591566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20693976" y3="1.19091533" z3="3.15089557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68834074" y3="0.82498106" z3="5.21823799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24292941" y3="1.73132398" z3="5.54103053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62639101" y3="1.13264306" z3="5.15974811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85709577" y3="-0.18869234" z3="6.35478078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27836489" y3="-0.74147925" z3="8.75531228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25937527" y3="-1.2100454" z3="8.96342821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98869762" y3="-0.20906252" z3="9.68402426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.2824362" y3="-1.88512417" z3="8.49603179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63388045" y3="-2.43352402" z3="7.60349799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31450053" y3="-2.59490844" z3="9.34716112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15239878" y3="-1.41160832" z3="8.26858849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53524681" y3="-0.92810813" z3="9.19209992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13687196" y3="-0.62568637" z3="7.49215078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12868587" y3="-2.50736138" z3="7.83207816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11272736" y3="-2.04894892" z3="7.61416566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.77364252" y3="-2.94045787" z3="6.87762115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32116752" y3="-3.63041138" z3="8.85118581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64267846" y3="-3.22503643" z3="9.82910188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38403468" y3="-4.19001133" z3="9.01648532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08802941" y3="-4.35285935" z3="8.51738411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46171874" y3="-1.26445256" z3="6.15172256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41714594" y3="0.25072809" z3="7.62755265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72821855" y3="1.10385527" z3="7.63198399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31738817" y3="0.78691617" z3="5.87084478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54537976" y3="1.49492789" z3="5.53253563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25829645" y3="1.00151416" z3="5.32744669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97621402" y3="-0.22949819" z3="5.6054806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50218164" y3="0.91560587" z3="7.3813669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75837037" y3="1.96144068" z3="7.63043512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36019647" y3="0.28887142" z3="7.69683379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2723421" y3="0.4886086" z3="8.18685281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93441715" y3="-0.49777154" z3="7.81676798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55964775" y3="0.35013212" z3="9.24794354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11766779" y3="1.51265678" z3="8.1496435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17005442" y3="2.51138052" z3="7.41290649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59861295" y3="1.59773953" z3="9.14070648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8028,-1.27,1.9077;-3.8291,-1.6721,1.9959;-2.1612,-2.0743,1.5013;-2.8305,-.4522,1.1623;-2.3005,-.7721,3.2611;-1.2593,-.4071,3.1564;-2.2796,-1.6066,3.9815;-3.1689,.3367,3.8565;-4.2007,-.0409,3.9592;-3.2069,1.1909,3.1509;-2.6883,.825,5.2182;-3.2429,1.7313,5.541;-1.6264,1.1326,5.1597;-2.8571,-.1887,6.3548;-2.2784,-.7415,8.7553;-3.2594,-1.21,8.9634;-1.9887,-.2091,9.684;-1.2824,-1.8851,8.496;-1.6339,-2.4335,7.6035;-1.3145,-2.5949,9.3472;.1524,-1.4116,8.2686;.5352,-.9281,9.1921;.1369,-.6257,7.4922;1.1287,-2.5074,7.8321;2.1127,-2.0489,7.6142;.7736,-2.9405,6.8776;1.3212,-3.6304,8.8512;1.6427,-3.225,9.8291;.384,-4.19,9.0165;2.088,-4.3529,8.5174;-3.4617,-1.2645,6.1517;-2.4171,.2507,7.6276;-1.7282,1.1039,7.632;-6.3174,.7869,5.8708;-5.5454,1.4949,5.5325;-7.2583,1.0015,5.3274;-5.9762,-.2295,5.6055;-6.5022,.9156,7.3814;-6.7584,1.9614,7.6304;-7.3602,.2889,7.6968;-5.2723,.4886,8.1869;-4.9344,-.4978,7.8168;-5.5596,.3501,9.2479;-4.1177,1.5127,8.1496;-4.1701,2.5114,7.4129;-3.5986,1.5977,9.1407;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724497754001</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001401228890 0.000360676231 0.021636510091 0.008514822356</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045821496 -0.000970522 0.000219730 0.000485498 0.000730975 0.000948728 0.001297459 0.002369266 0.002585083 0.003321699 0.004699167 0.005521522 0.006146609 0.006667461 0.007099783 0.010160496 0.010787240 0.011215539 0.014188610 0.015828864 0.018908313 0.020963667 0.021488311 0.023424712 0.025687199 0.026282967 0.026993800 0.030399189 0.032446459 0.035811568 0.037420504 0.039551969 0.044286634 0.046509601 0.047937330 0.050327149 0.050837228 0.051829946 0.052887082 0.053377074 0.054553971 0.058246480 0.060009175 0.062967391 0.064689314 0.066378184 0.068697529 0.069453362 0.073069003 0.076824334 0.078710247 0.080206790 0.081322893 0.081776412 0.088847085 0.090308879 0.093881536 0.098499710 0.100645003 0.111197059 0.113184366 0.114845025 0.118633389 0.120171479 0.124312389 0.130035937 0.132372806 0.145275661 0.149400189 0.151656175 0.153576404 0.154504587 0.159604102 0.163941553 0.165586902 0.176894608 0.184041605 0.185128882 0.190541169 0.196964841 0.210529495 0.212035148 0.218200728 0.226881662 0.237215091 0.249980069 0.259939644 0.264755278 0.298011246 0.305909521 0.313048706 0.326837560 0.356009021 0.420586660 0.442374530 0.486771282 0.534235990 0.574985677 0.589854499 0.637345688 0.654088044 0.687637360 0.710093134 0.756892051 0.773297518 0.782008656 0.785472274 0.787940372 0.790435893 0.809053063 0.821041986 0.825994702 0.829016960 0.838249812 0.852604228 0.869708780 0.875819061 0.880843836 0.892389922 0.894189803 0.918075407 0.920226415 0.922293860 0.951847009 0.970158506 0.977160842 0.986536628 0.990834467 1.025591159 1.073219657 1.382917308 1.485985938</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">163</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78733148" y3="-1.27123222" z3="1.91203912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81046296" y3="-1.67901816" z3="1.99471264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13967725" y3="-2.06970433" z3="1.50771369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.8169421" y3="-0.45329444" z3="1.16767342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29277744" y3="-0.773221" z3="3.26783772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25107111" y3="-0.40818664" z3="3.16824248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27552214" y3="-1.60746876" z3="3.98908738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16426981" y3="0.33627903" z3="3.85782439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19661841" y3="-0.0414192" z3="3.95837563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20045376" y3="1.18910289" z3="3.14993402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68781074" y3="0.82901099" z3="5.21943037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24677772" y3="1.73359602" z3="5.53954785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62692281" y3="1.14096902" z3="5.16155623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8539391" y3="-0.18267472" z3="6.35799712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2759178" y3="-0.72726305" z3="8.76089378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25578865" y3="-1.19108387" z3="8.97900467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97393365" y3="-0.19070659" z3="9.68533764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28628418" y3="-1.87528041" z3="8.49824468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64869225" y3="-2.42371855" z3="7.60894901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31457462" y3="-2.5834113" z3="9.35071494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14929805" y3="-1.41065168" z3="8.2608381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53965522" y3="-0.92988067" z3="9.18108093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13183339" y3="-0.62460643" z3="7.48500134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11563736" y3="-2.51415646" z3="7.81823011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.1006067" y3="-2.06209139" z3="7.59410364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75200601" y3="-2.94657624" z3="6.86675072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.30718544" y3="-3.63560641" z3="8.83926845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63438122" y3="-3.23055455" z3="9.8150012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.36920948" y3="-4.19112077" z3="9.00988136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.06917507" y3="-4.36210254" z3="8.50173165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45503583" y3="-1.26082982" z3="6.1565076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41712665" y3="0.2608957" z3="7.62975566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73095433" y3="1.11583301" z3="7.63288685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31824787" y3="0.77369682" z3="5.8745034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55074965" y3="1.48488745" z3="5.53173046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25981778" y3="0.98350111" z3="5.33301009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97311032" y3="-0.24214652" z3="5.61203983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5013961" y3="0.90540991" z3="7.38504381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76348049" y3="1.95080898" z3="7.63171697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35545757" y3="0.27482463" z3="7.70146277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26849483" y3="0.48633945" z3="8.19130137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93189708" y3="-0.50045398" z3="7.82411558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55049467" y3="0.3499692" z3="9.25398093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12149695" y3="1.51955795" z3="8.14752964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17682957" y3="2.51425399" z3="7.40708926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60259907" y3="1.60998076" z3="9.13820975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7873,-1.2712,1.912;-3.8105,-1.679,1.9947;-2.1397,-2.0697,1.5077;-2.8169,-.4533,1.1677;-2.2928,-.7732,3.2678;-1.2511,-.4082,3.1682;-2.2755,-1.6075,3.9891;-3.1643,.3363,3.8578;-4.1966,-.0414,3.9584;-3.2005,1.1891,3.1499;-2.6878,.829,5.2194;-3.2468,1.7336,5.5395;-1.6269,1.141,5.1616;-2.8539,-.1827,6.358;-2.2759,-.7273,8.7609;-3.2558,-1.1911,8.979;-1.9739,-.1907,9.6853;-1.2863,-1.8753,8.4982;-1.6487,-2.4237,7.6089;-1.3146,-2.5834,9.3507;.1493,-1.4107,8.2608;.5397,-.9299,9.1811;.1318,-.6246,7.485;1.1156,-2.5142,7.8182;2.1006,-2.0621,7.5941;.752,-2.9466,6.8668;1.3072,-3.6356,8.8393;1.6344,-3.2306,9.815;.3692,-4.1911,9.0099;2.0692,-4.3621,8.5017;-3.455,-1.2608,6.1565;-2.4171,.2609,7.6298;-1.731,1.1158,7.6329;-6.3182,.7737,5.8745;-5.5507,1.4849,5.5317;-7.2598,.9835,5.333;-5.9731,-.2421,5.612;-6.5014,.9054,7.385;-6.7635,1.9508,7.6317;-7.3555,.2748,7.7015;-5.2685,.4863,8.1913;-4.9319,-.5005,7.8241;-5.5505,.35,9.254;-4.1215,1.5196,8.1475;-4.1768,2.5143,7.4071;-3.6026,1.61,9.1382;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724492183845</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001763345473 0.000463381887 0.027140810611 0.008503047850</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045815702 -0.000388590 0.000284557 0.000488638 0.000743905 0.000948625 0.001302214 0.002373571 0.002580979 0.003368949 0.004751214 0.005569456 0.006153060 0.006685976 0.007100635 0.010209224 0.010788131 0.011214798 0.014186733 0.015840544 0.018907745 0.020974883 0.021486674 0.023425575 0.025689349 0.026282159 0.026993597 0.030401635 0.032442041 0.035810464 0.037430606 0.039551809 0.044298917 0.046526918 0.047983409 0.050334730 0.050845506 0.051843179 0.052905275 0.053383056 0.054828522 0.058246608 0.060021265 0.062969561 0.064691495 0.066379213 0.068698793 0.069508550 0.073089529 0.076842398 0.078706801 0.080211409 0.081370427 0.081794253 0.088851687 0.090354480 0.093881853 0.098497995 0.100661631 0.111219202 0.113186546 0.114845691 0.118633984 0.120181749 0.124313581 0.130037642 0.132405262 0.145274818 0.149409529 0.151657232 0.153606843 0.154521581 0.159622890 0.163961014 0.165643846 0.176915393 0.184048379 0.185154496 0.190761509 0.197022459 0.210546445 0.212034031 0.218218360 0.226956106 0.237227094 0.249987199 0.259945710 0.264827799 0.298041786 0.305916069 0.313046373 0.326886241 0.356009156 0.420732632 0.442390106 0.486872736 0.534256256 0.575023186 0.589874097 0.637347176 0.654122373 0.687698515 0.710111987 0.756893517 0.773299704 0.782091207 0.785472229 0.787977349 0.790436858 0.809116362 0.821066779 0.825999311 0.829272230 0.838260935 0.852608414 0.869930534 0.875822487 0.880844591 0.892422538 0.894193878 0.918137078 0.920261570 0.922520610 0.951896551 0.970157587 0.977224181 0.986641029 0.990925748 1.025592305 1.073300573 1.383217030 1.486027868</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">164</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.76813549" y3="-1.27968489" z3="1.92210809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79240468" y3="-1.68834633" z3="2.00425504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.11756145" y3="-2.08181337" z3="1.5251452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.79530086" y3="-0.46569377" z3="1.17229859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28087564" y3="-0.77203908" z3="3.27703929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24170003" y3="-0.40049125" z3="3.17924762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25997286" y3="-1.60301926" z3="4.00152678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16126398" y3="0.33333538" z3="3.86048116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19088618" y3="-0.0508553" z3="3.95954261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20106939" y3="1.1833012" z3="3.14991682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69125364" y3="0.83207066" z3="5.22216557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25476188" y3="1.73496006" z3="5.53986708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63156463" y3="1.14847215" z3="5.16680727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85666932" y3="-0.17810248" z3="6.3618763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27427019" y3="-0.71805223" z3="8.76627033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25568133" y3="-1.17835422" z3="8.99164215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.96960019" y3="-0.18009392" z3="9.68680943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28943988" y3="-1.87052469" z3="8.50416196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65587382" y3="-2.42547812" z3="7.62166779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31517154" y3="-2.57207261" z3="9.36245185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14570868" y3="-1.40944541" z3="8.2533804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54730889" y3="-0.92851792" z3="9.17019344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12455198" y3="-0.62442769" z3="7.47618941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10474872" y3="-2.51475904" z3="7.80249096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09038301" y3="-2.0662166" z3="7.5720288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.73242973" y3="-2.94313797" z3="6.85234335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.29867084" y3="-3.64048274" z3="8.81829255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63457784" y3="-3.23942778" z3="9.79315925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.35886447" y3="-4.19222349" z3="8.99346311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.05539565" y3="-4.36894278" z3="8.47459084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45708306" y3="-1.25653681" z3="6.16205817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42035047" y3="0.26851661" z3="7.63392045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73320601" y3="1.12297333" z3="7.63355508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31860754" y3="0.77031725" z3="5.87525758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55402564" y3="1.48421207" z3="5.53292185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2623628" y3="0.97392341" z3="5.33256553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96864804" y3="-0.24407306" z3="5.61367468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50282508" y3="0.90360688" z3="7.38568119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76617823" y3="1.94884848" z3="7.63121038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35686862" y3="0.27250225" z3="7.70365789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2704123" y3="0.48749932" z3="8.19251647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.9283892" y3="-0.49880145" z3="7.8264457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55541694" y3="0.35116517" z3="9.25463272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12142253" y3="1.51850361" z3="8.14921057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.18183231" y3="2.51419696" z3="7.40799913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60552284" y3="1.6136657" z3="9.14116779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7681,-1.2797,1.9221;-3.7924,-1.6883,2.0043;-2.1176,-2.0818,1.5251;-2.7953,-.4657,1.1723;-2.2809,-.772,3.277;-1.2417,-.4005,3.1792;-2.26,-1.603,4.0015;-3.1613,.3333,3.8605;-4.1909,-.0509,3.9595;-3.2011,1.1833,3.1499;-2.6913,.8321,5.2222;-3.2548,1.735,5.5399;-1.6316,1.1485,5.1668;-2.8567,-.1781,6.3619;-2.2743,-.7181,8.7663;-3.2557,-1.1784,8.9916;-1.9696,-.1801,9.6868;-1.2894,-1.8705,8.5042;-1.6559,-2.4255,7.6217;-1.3152,-2.5721,9.3625;.1457,-1.4094,8.2534;.5473,-.9285,9.1702;.1246,-.6244,7.4762;1.1047,-2.5148,7.8025;2.0904,-2.0662,7.572;.7324,-2.9431,6.8523;1.2987,-3.6405,8.8183;1.6346,-3.2394,9.7932;.3589,-4.1922,8.9935;2.0554,-4.3689,8.4746;-3.4571,-1.2565,6.1621;-2.4204,.2685,7.6339;-1.7332,1.123,7.6336;-6.3186,.7703,5.8753;-5.554,1.4842,5.5329;-7.2624,.9739,5.3326;-5.9686,-.2441,5.6137;-6.5028,.9036,7.3857;-6.7662,1.9488,7.6312;-7.3569,.2725,7.7037;-5.2704,.4875,8.1925;-4.9284,-.4988,7.8264;-5.5554,.3512,9.2546;-4.1214,1.5185,8.1492;-4.1818,2.5142,7.408;-3.6055,1.6137,9.1412;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724495820388</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001404759003 0.000344452125 0.023119784879 0.008536218427</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045644526 -0.000558667 -0.000002611 0.000473045 0.000754155 0.000949600 0.001300729 0.002389735 0.002610566 0.003387721 0.004773057 0.005575858 0.006168273 0.006696416 0.007114280 0.010229742 0.010784532 0.011215251 0.014211431 0.015830760 0.018893218 0.020983660 0.021481587 0.023408403 0.025690019 0.026300986 0.026994439 0.030405170 0.032447034 0.035796848 0.037434402 0.039552461 0.044308229 0.046531933 0.047994129 0.050338410 0.050847872 0.051855291 0.052920857 0.053381726 0.055070605 0.058250981 0.060023051 0.062955845 0.064696044 0.066380974 0.068705510 0.069522019 0.073102932 0.076851842 0.078708700 0.080230024 0.081403809 0.081798577 0.088851841 0.090363878 0.093882944 0.098533265 0.100660509 0.111272235 0.113191052 0.114840237 0.118636850 0.120187940 0.124326519 0.130040311 0.132451394 0.145276494 0.149434493 0.151649547 0.153618202 0.154545542 0.159644435 0.163996143 0.165675495 0.176899483 0.184152092 0.185184362 0.190851647 0.197128084 0.210581515 0.212041477 0.218229854 0.226967979 0.237245256 0.249951305 0.259959116 0.264850705 0.298027907 0.305919100 0.313046649 0.326908097 0.356008632 0.420786512 0.442391575 0.486948162 0.534287509 0.575064303 0.589866600 0.637334866 0.654140353 0.687714273 0.710110296 0.756904982 0.773301756 0.782177862 0.785472784 0.787990845 0.790444050 0.809186677 0.821081935 0.826007715 0.829518144 0.838289346 0.852612148 0.870148779 0.875823412 0.880850593 0.892445961 0.894200329 0.918175146 0.920272462 0.922697130 0.951917057 0.970159840 0.977291238 0.986691242 0.990989781 1.025626211 1.073331381 1.383316964 1.486049590</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">165</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.75441392" y3="-1.27924171" z3="1.92582293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77638599" y3="-1.69182806" z3="2.00258331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.09977378" y3="-2.07664642" z3="1.53015487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.78220721" y3="-0.46478548" z3="1.1775862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27234324" y3="-0.77180602" z3="3.28291684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23294309" y3="-0.39858854" z3="3.1885692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25254656" y3="-1.603208" z3="4.00723672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15635597" y3="0.33268634" z3="3.86355268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18581618" y3="-0.05362246" z3="3.96133397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19683724" y3="1.18184972" z3="3.15174698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69014869" y3="0.83514448" z3="5.22501634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25861567" y3="1.7356568" z3="5.54022643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63213876" y3="1.1568749" z3="5.1708216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85256596" y3="-0.17335794" z3="6.36653195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27049002" y3="-0.70419315" z3="8.77360205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25029512" y3="-1.16031747" z3="9.00814455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.95435181" y3="-0.16255402" z3="9.69000059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29127387" y3="-1.86066298" z3="8.50840456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6691673" y3="-2.41670632" z3="7.6307521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31102396" y3="-2.55891842" z3="9.36903492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14369133" y3="-1.40869799" z3="8.24367976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.55523904" y3="-0.92654564" z3="9.15440016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11998151" y3="-0.62663322" z3="7.46379409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09158846" y3="-2.52305786" z3="7.78883908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.07825188" y3="-2.08202613" z3="7.54957601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.70930994" y3="-2.95244013" z3="6.8434271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.28533248" y3="-3.64622928" z3="8.80758965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.62881946" y3="-3.24367398" z3="9.77891333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.34390787" y3="-4.19260652" z3="8.99017415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.03595504" y3="-4.38046116" z3="8.46123274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.44865984" y3="-1.25464771" z3="6.1685466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4198561" y3="0.27825105" z3="7.63777473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73544601" y3="1.13484731" z3="7.63562977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32057442" y3="0.75712129" z3="5.87694477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.56061472" y3="1.47465939" z3="5.53036155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26541695" y3="0.95434356" z3="5.33534981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9649973" y3="-0.25588846" z3="5.61873525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50403753" y3="0.89417786" z3="7.38705268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77256264" y3="1.93892777" z3="7.63010183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35366592" y3="0.25890641" z3="7.70619062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2685854" y3="0.48657402" z3="8.19541004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.92575261" y3="-0.49981208" z3="7.83280412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55103051" y3="0.35280862" z3="9.25854404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12549862" y3="1.52470458" z3="8.14711148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.18873101" y3="2.5169005" z3="7.40238131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61092191" y3="1.62517877" z3="9.1392848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7544,-1.2792,1.9258;-3.7764,-1.6918,2.0026;-2.0998,-2.0766,1.5302;-2.7822,-.4648,1.1776;-2.2723,-.7718,3.2829;-1.2329,-.3986,3.1886;-2.2525,-1.6032,4.0072;-3.1564,.3327,3.8636;-4.1858,-.0536,3.9613;-3.1968,1.1818,3.1517;-2.6901,.8351,5.225;-3.2586,1.7357,5.5402;-1.6321,1.1569,5.1708;-2.8526,-.1734,6.3665;-2.2705,-.7042,8.7736;-3.2503,-1.1603,9.0081;-1.9544,-.1626,9.69;-1.2913,-1.8607,8.5084;-1.6692,-2.4167,7.6308;-1.311,-2.5589,9.369;.1437,-1.4087,8.2437;.5552,-.9265,9.1544;.12,-.6266,7.4638;1.0916,-2.5231,7.7888;2.0783,-2.082,7.5496;.7093,-2.9524,6.8434;1.2853,-3.6462,8.8076;1.6288,-3.2437,9.7789;.3439,-4.1926,8.9902;2.036,-4.3805,8.4612;-3.4487,-1.2546,6.1685;-2.4199,.2783,7.6378;-1.7354,1.1348,7.6356;-6.3206,.7571,5.8769;-5.5606,1.4747,5.5304;-7.2654,.9543,5.3353;-5.965,-.2559,5.6187;-6.504,.8942,7.3871;-6.7726,1.9389,7.6301;-7.3537,.2589,7.7062;-5.2686,.4866,8.1954;-4.9258,-.4998,7.8328;-5.551,.3528,9.2585;-4.1255,1.5247,8.1471;-4.1887,2.5169,7.4024;-3.6109,1.6252,9.1393;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724489879380</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001481107291 0.000323771079 0.033138850763 0.008522841371</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045644655 -0.000192828 0.000077725 0.000471032 0.000753751 0.000952375 0.001310144 0.002392699 0.002613884 0.003394271 0.004773326 0.005592036 0.006179993 0.006706287 0.007116854 0.010240532 0.010789236 0.011215200 0.014208526 0.015829544 0.018891472 0.021002964 0.021481838 0.023409324 0.025690156 0.026300062 0.026994596 0.030409398 0.032442104 0.035795192 0.037436971 0.039553910 0.044310349 0.046536074 0.048008388 0.050339657 0.050847251 0.051858033 0.052922070 0.053381693 0.055147446 0.058252269 0.060026816 0.062949025 0.064698936 0.066383007 0.068704569 0.069549000 0.073113714 0.076858586 0.078712656 0.080237749 0.081430732 0.081799068 0.088848389 0.090371800 0.093883988 0.098535268 0.100681006 0.111288206 0.113193845 0.114843778 0.118638806 0.120189835 0.124329755 0.130040091 0.132464222 0.145274555 0.149449006 0.151652781 0.153617700 0.154555868 0.159662004 0.164003536 0.165693152 0.176918980 0.184173525 0.185201896 0.190971344 0.197144906 0.210579285 0.212042858 0.218238796 0.226976876 0.237245747 0.249943302 0.259958441 0.264887832 0.298049631 0.305920424 0.313037703 0.326916952 0.356011174 0.420821838 0.442396242 0.487010360 0.534324007 0.575094997 0.589874052 0.637337510 0.654144128 0.687726121 0.710110897 0.756916914 0.773299725 0.782233889 0.785472443 0.788020254 0.790445759 0.809241348 0.821085661 0.826016909 0.829672657 0.838330366 0.852614621 0.870404730 0.875822967 0.880856118 0.892480373 0.894200851 0.918207079 0.920277450 0.922867213 0.951919756 0.970163415 0.977297756 0.986757196 0.990992975 1.025628382 1.073349289 1.383409162 1.486058227</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">166</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.75176571" y3="-1.29096468" z3="1.93679683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.77226396" y3="-1.70749157" z3="2.01796563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.09473358" y3="-2.08794612" z3="1.5424601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.7846471" y3="-0.47910304" z3="1.18550555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.26950643" y3="-0.77682145" z3="3.29119949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23161658" y3="-0.40087253" z3="3.1945232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24644818" y3="-1.60559262" z3="4.01837822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15609686" y3="0.32689557" z3="3.86878131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18475802" y3="-0.06103279" z3="3.96530239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19663617" y3="1.17488005" z3="3.15580674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6925876" y3="0.83123079" z3="5.2306113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.26033466" y3="1.73280807" z3="5.54423441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63403319" y3="1.15168966" z3="5.17822985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85806578" y3="-0.17612223" z3="6.37256774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27453622" y3="-0.70991755" z3="8.77772318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25499063" y3="-1.16957456" z3="9.00975189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.96485634" y3="-0.1708174" z3="9.69560913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.29111029" y3="-1.86255321" z3="8.51117923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66588472" y3="-2.41823389" z3="7.6321921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30906047" y3="-2.56287228" z3="9.3702455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14205829" y3="-1.40449084" z3="8.24796536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.55516943" y3="-0.93008817" z3="9.16226927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11498556" y3="-0.61545878" z3="7.47539819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.09178313" y3="-2.51163944" z3="7.77975025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.07647012" y3="-2.06558674" z3="7.54257164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.7077152" y3="-2.93187669" z3="6.83086699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.29134554" y3="-3.64542645" z3="8.78547847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63954703" y3="-3.25303913" z3="9.75958355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.35150331" y3="-4.19483582" z3="8.96612813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.04120911" y3="-4.37463913" z3="8.42809389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45497503" y3="-1.25668281" z3="6.17441172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42606426" y3="0.27527187" z3="7.64464568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7399991" y3="1.13057337" z3="7.64272461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31102129" y3="0.7650337" z3="5.86933516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54667445" y3="1.47996868" z3="5.52843547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25174305" y3="0.96442052" z3="5.32100509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95719205" y3="-0.24895529" z3="5.61411103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50464676" y3="0.90432725" z3="7.37808662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.77072932" y3="1.9503163" z3="7.61803722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36024503" y3="0.27372387" z3="7.69220814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2770579" y3="0.49262258" z3="8.19491808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93517232" y3="-0.49626493" z3="7.83697717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56753681" y3="0.36314584" z3="9.25620238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12705277" y3="1.52348541" z3="8.15250558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.18498541" y3="2.5183252" z3="7.40992202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61672754" y3="1.62063762" z3="9.14719274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7518,-1.291,1.9368;-3.7723,-1.7075,2.018;-2.0947,-2.0879,1.5425;-2.7846,-.4791,1.1855;-2.2695,-.7768,3.2912;-1.2316,-.4009,3.1945;-2.2464,-1.6056,4.0184;-3.1561,.3269,3.8688;-4.1848,-.061,3.9653;-3.1966,1.1749,3.1558;-2.6926,.8312,5.2306;-3.2603,1.7328,5.5442;-1.634,1.1517,5.1782;-2.8581,-.1761,6.3726;-2.2745,-.7099,8.7777;-3.255,-1.1696,9.0098;-1.9649,-.1708,9.6956;-1.2911,-1.8626,8.5112;-1.6659,-2.4182,7.6322;-1.3091,-2.5629,9.3702;.1421,-1.4045,8.248;.5552,-.9301,9.1623;.115,-.6155,7.4754;1.0918,-2.5116,7.7798;2.0765,-2.0656,7.5426;.7077,-2.9319,6.8309;1.2913,-3.6454,8.7855;1.6395,-3.253,9.7596;.3515,-4.1948,8.9661;2.0412,-4.3746,8.4281;-3.455,-1.2567,6.1744;-2.4261,.2753,7.6446;-1.74,1.1306,7.6427;-6.311,.765,5.8693;-5.5467,1.48,5.5284;-7.2517,.9644,5.321;-5.9572,-.249,5.6141;-6.5046,.9043,7.3781;-6.7707,1.9503,7.618;-7.3602,.2737,7.6922;-5.2771,.4926,8.1949;-4.9352,-.4963,7.837;-5.5675,.3631,9.2562;-4.1271,1.5235,8.1525;-4.185,2.5183,7.4099;-3.6167,1.6206,9.1472;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724494878286</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000959865663 0.000236155955 0.024587724644 0.008512162330</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045476094 -0.001067667 0.000184568 0.000464778 0.000671995 0.000872558 0.001311396 0.002282778 0.002689844 0.003400593 0.004613693 0.005010984 0.006108642 0.006711000 0.007056520 0.010084773 0.010796672 0.011243971 0.014060052 0.015777777 0.018896647 0.020902263 0.021434935 0.023411203 0.025686580 0.026233826 0.026978227 0.030409777 0.032443793 0.035792576 0.037437641 0.039554379 0.044229367 0.046542665 0.048015211 0.050339572 0.050821804 0.051790548 0.052922242 0.053374773 0.055003711 0.058212614 0.059996507 0.062963783 0.064690240 0.066382623 0.068691959 0.069565176 0.073037548 0.076842562 0.078713193 0.080182926 0.081428387 0.081801652 0.088834499 0.090394709 0.093874876 0.098579623 0.100615480 0.111261345 0.113192735 0.114803643 0.118638193 0.120190542 0.124318838 0.130042658 0.132484584 0.145278167 0.149468604 0.151583530 0.153599452 0.154473357 0.159711170 0.164069370 0.165706410 0.176746406 0.184349468 0.185199506 0.190917708 0.197516042 0.210627591 0.211957725 0.218243233 0.227040147 0.237269455 0.249657030 0.259894831 0.264779466 0.298117132 0.305917574 0.313022686 0.326906807 0.355995595 0.420812908 0.442377091 0.487001249 0.534316572 0.575084167 0.589806990 0.637147959 0.654106167 0.687708172 0.710108413 0.756914117 0.773376999 0.782240776 0.785476746 0.787913611 0.790444232 0.809248880 0.821114491 0.826006932 0.829666102 0.838485116 0.852619629 0.870283715 0.875745824 0.880812654 0.892485905 0.894202021 0.918220168 0.920279589 0.923000344 0.951896899 0.970245933 0.977211708 0.986776191 0.991122379 1.025773943 1.072757099 1.383402925 1.486057120</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">167</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.77125564" y3="-1.28786722" z3="1.9329202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79181183" y3="-1.70337322" z3="2.02260226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.11822486" y3="-2.08581638" z3="1.53339377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.80923482" y3="-0.47573756" z3="1.18179424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.27778219" y3="-0.77399137" z3="3.28354642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.23962452" y3="-0.40035381" z3="3.17943785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25188367" y3="-1.60273655" z3="4.01080415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.15793303" y3="0.33184885" z3="3.86678394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.18804338" y3="-0.05188907" z3="3.96412625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19646092" y3="1.18251707" z3="3.15684736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68939233" y3="0.82875901" z3="5.22945865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25123919" y3="1.73268614" z3="5.54680852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62898137" y3="1.14284762" z3="5.17672989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85956098" y3="-0.18186078" z3="6.3680695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28145952" y3="-0.72463806" z3="8.77256502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25980035" y3="-1.19003879" z3="8.99223635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97929966" y3="-0.18613167" z3="9.69549668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28975258" y3="-1.87215045" z3="8.51159879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65516504" y3="-2.43165528" z3="7.63167637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30834902" y3="-2.57171903" z3="9.3715293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14277734" y3="-1.40589874" z3="8.25522548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54848612" y3="-0.92837456" z3="9.17156875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11484391" y3="-0.61736234" z3="7.48195801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10177482" y3="-2.50660228" z3="7.7924686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.08498919" y3="-2.0543889" z3="7.55817695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.72473245" y3="-2.92990485" z3="6.84227491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.30529814" y3="-3.63816868" z3="8.79992377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64744243" y3="-3.24344508" z3="9.77475963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.36755725" y3="-4.1931719" z3="8.97846436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.06078615" y3="-4.36348325" z3="8.44469631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46039703" y3="-1.25940245" z3="6.16607895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42670829" y3="0.26386586" z3="7.64179287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73718687" y3="1.11636239" z3="7.6429685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.30927054" y3="0.77300778" z3="5.86571412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54260305" y3="1.48633565" z3="5.52512429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24946606" y3="0.97503092" z3="5.31499355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95894396" y3="-0.24279134" z3="5.60988915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50218698" y3="0.91154104" z3="7.37335161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76257054" y3="1.95947212" z3="7.61399647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36008621" y3="0.28423788" z3="7.68709765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2771553" y3="0.49287681" z3="8.19113307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93915287" y3="-0.49729144" z3="7.83278373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57107492" y3="0.36440924" z3="9.25252619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1227998" y3="1.51879687" z3="8.15225696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17584147" y3="2.51619146" z3="7.41283772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61195785" y3="1.60991455" z3="9.14740115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7713,-1.2879,1.9329;-3.7918,-1.7034,2.0226;-2.1182,-2.0858,1.5334;-2.8092,-.4757,1.1818;-2.2778,-.774,3.2835;-1.2396,-.4004,3.1794;-2.2519,-1.6027,4.0108;-3.1579,.3318,3.8668;-4.188,-.0519,3.9641;-3.1965,1.1825,3.1568;-2.6894,.8288,5.2295;-3.2512,1.7327,5.5468;-1.629,1.1428,5.1767;-2.8596,-.1819,6.3681;-2.2815,-.7246,8.7726;-3.2598,-1.19,8.9922;-1.9793,-.1861,9.6955;-1.2898,-1.8722,8.5116;-1.6552,-2.4317,7.6317;-1.3083,-2.5717,9.3715;.1428,-1.4059,8.2552;.5485,-.9284,9.1716;.1148,-.6174,7.482;1.1018,-2.5066,7.7925;2.085,-2.0544,7.5582;.7247,-2.9299,6.8423;1.3053,-3.6382,8.7999;1.6474,-3.2434,9.7748;.3676,-4.1932,8.9785;2.0608,-4.3635,8.4447;-3.4604,-1.2594,6.1661;-2.4267,.2639,7.6418;-1.7372,1.1164,7.643;-6.3093,.773,5.8657;-5.5426,1.4863,5.5251;-7.2495,.975,5.315;-5.9589,-.2428,5.6099;-6.5022,.9115,7.3734;-6.7626,1.9595,7.614;-7.3601,.2842,7.6871;-5.2772,.4929,8.1911;-4.9392,-.4973,7.8328;-5.5711,.3644,9.2525;-4.1228,1.5188,8.1523;-4.1758,2.5162,7.4128;-3.612,1.6099,9.1474;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724492097391</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001822450020 0.000418296331 0.036633857822 0.008526173381</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045469607 -0.000231899 0.000112828 0.000369269 0.000672095 0.000878459 0.001291537 0.002290823 0.002707936 0.003418973 0.004780492 0.005011365 0.006113771 0.006710285 0.007039647 0.010125489 0.010806002 0.011268148 0.013997511 0.015777370 0.018900092 0.020916204 0.021425395 0.023404731 0.025682130 0.026196721 0.026984825 0.030410429 0.032443794 0.035792467 0.037440442 0.039554249 0.044243823 0.046551218 0.048022228 0.050339654 0.050826902 0.051800470 0.052922845 0.053392440 0.055004585 0.058215093 0.059998641 0.062976678 0.064740614 0.066385953 0.068690919 0.069583161 0.073053551 0.076843387 0.078733699 0.080190585 0.081439489 0.081801303 0.088864617 0.090467099 0.093876067 0.098609720 0.100758740 0.111271413 0.113197839 0.114911825 0.118653577 0.120196932 0.124355255 0.130044712 0.132568339 0.145295708 0.149498416 0.151610758 0.153603424 0.154488881 0.159782314 0.164160253 0.165740182 0.176794444 0.184680324 0.185200568 0.190976725 0.197998257 0.210660071 0.211965234 0.218254693 0.227130100 0.237291978 0.249767230 0.259906690 0.264895148 0.298659939 0.305926613 0.313062286 0.327090173 0.356029814 0.420828546 0.442549025 0.487014200 0.534326097 0.575088222 0.589969526 0.637252996 0.654258511 0.687730249 0.710115015 0.756917724 0.773569414 0.782266814 0.785494909 0.787934767 0.790445535 0.809299543 0.821226929 0.826018586 0.829792875 0.839528147 0.852644977 0.870365608 0.875754511 0.881281377 0.892510955 0.894223463 0.918314412 0.920293978 0.923462022 0.951939932 0.970596955 0.977251234 0.986802072 0.991821898 1.026594647 1.072823542 1.383433033 1.486067692</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">168</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78634516" y3="-1.27458439" z3="1.92275991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80771801" y3="-1.68606306" z3="2.01291263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13788412" y3="-2.07210479" z3="1.51622027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82360662" y3="-0.45837407" z3="1.17680615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.2865907" y3="-0.77102678" z3="3.2745858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24735794" y3="-0.4013799" z3="3.16881768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26151387" y3="-1.60337899" z3="3.9972679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16047414" y3="0.33520858" z3="3.86627452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19143521" y3="-0.04542359" z3="3.96615664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19894658" y3="1.1885755" z3="3.15958125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68565643" y3="0.82665376" z3="5.2289332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24298971" y3="1.7325511" z3="5.54856912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62385577" y3="1.13606769" z3="5.1736328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85657793" y3="-0.18508066" z3="6.36686323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27828685" y3="-0.73025045" z3="8.76999698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25944378" y3="-1.19573837" z3="8.98705711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98167895" y3="-0.1950103" z3="9.69500549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28586722" y3="-1.87744105" z3="8.50735749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6527566" y3="-2.43388663" z3="7.62513206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30386104" y3="-2.5788648" z3="9.36500677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14587376" y3="-1.41120875" z3="8.25212525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.54834898" y3="-0.92457996" z3="9.16511974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.11925259" y3="-0.62958414" z3="7.47215992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.10788769" y3="-2.51545607" z3="7.80230245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.08901732" y3="-2.06254249" z3="7.5626664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.73179366" y3="-2.9532011" z3="6.85776342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.3142604" y3="-3.63233858" z3="8.82557777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65473521" y3="-3.22187175" z3="9.7952872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37967839" y3="-4.18931902" z3="9.01063241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.07278647" y3="-4.35879311" z3="8.48133016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45855181" y3="-1.26241849" z3="6.16428349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42173152" y3="0.25872498" z3="7.63977754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73462065" y3="1.11323598" z3="7.64303676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3094777" y3="0.77320969" z3="5.86271586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54085543" y3="1.48362597" z3="5.52227272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24804862" y3="0.97751356" z3="5.31387303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.95886428" y3="-0.24187893" z3="5.60713215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50383931" y3="0.91148351" z3="7.37205762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76388819" y3="1.95815523" z3="7.61487568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36281873" y3="0.28510982" z3="7.68446729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27831739" y3="0.49222068" z3="8.1895221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93975007" y3="-0.49738928" z3="7.83081552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57088689" y3="0.36416296" z3="9.2499558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12534362" y3="1.51921799" z3="8.15194256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17616541" y3="2.51553293" z3="7.41205541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.61159702" y3="1.60839579" z3="9.14520297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7863,-1.2746,1.9228;-3.8077,-1.6861,2.0129;-2.1379,-2.0721,1.5162;-2.8236,-.4584,1.1768;-2.2866,-.771,3.2746;-1.2474,-.4014,3.1688;-2.2615,-1.6034,3.9973;-3.1605,.3352,3.8663;-4.1914,-.0454,3.9662;-3.1989,1.1886,3.1596;-2.6857,.8267,5.2289;-3.243,1.7326,5.5486;-1.6239,1.1361,5.1736;-2.8566,-.1851,6.3669;-2.2783,-.7303,8.77;-3.2594,-1.1957,8.9871;-1.9817,-.195,9.695;-1.2859,-1.8774,8.5074;-1.6528,-2.4339,7.6251;-1.3039,-2.5789,9.365;.1459,-1.4112,8.2521;.5483,-.9246,9.1651;.1193,-.6296,7.4722;1.1079,-2.5155,7.8023;2.089,-2.0625,7.5627;.7318,-2.9532,6.8578;1.3143,-3.6323,8.8256;1.6547,-3.2219,9.7953;.3797,-4.1893,9.0106;2.0728,-4.3588,8.4813;-3.4586,-1.2624,6.1643;-2.4217,.2587,7.6398;-1.7346,1.1132,7.643;-6.3095,.7732,5.8627;-5.5409,1.4836,5.5223;-7.248,.9775,5.3139;-5.9589,-.2419,5.6071;-6.5038,.9115,7.3721;-6.7639,1.9582,7.6149;-7.3628,.2851,7.6845;-5.2783,.4922,8.1895;-4.9398,-.4974,7.8308;-5.5709,.3642,9.25;-4.1253,1.5192,8.1519;-4.1762,2.5155,7.4121;-3.6116,1.6084,9.1452;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724492464297</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001191191471 0.000332397980 0.029311892630 0.008518470035</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045470174 -0.000520385 0.000210522 0.000554874 0.000665048 0.000883449 0.001304725 0.002312088 0.002731051 0.003416918 0.004814102 0.005029136 0.006113609 0.006711844 0.007084757 0.010154034 0.010805789 0.011277939 0.014017462 0.015775328 0.018904081 0.020925012 0.021424683 0.023408431 0.025682206 0.026196572 0.026992539 0.030411301 0.032449060 0.035796384 0.037441710 0.039555008 0.044243802 0.046555995 0.048025015 0.050338969 0.050835390 0.051823484 0.052925200 0.053402108 0.055006049 0.058217015 0.060003384 0.062978995 0.064745125 0.066386964 0.068690499 0.069593906 0.073067718 0.076843268 0.078744492 0.080192425 0.081443216 0.081800600 0.088872556 0.090481796 0.093876184 0.098612587 0.100754646 0.111272012 0.113198830 0.114983431 0.118660484 0.120200947 0.124365861 0.130045058 0.132605847 0.145319995 0.149497032 0.151633751 0.153600805 0.154496682 0.159802010 0.164159661 0.165739875 0.176798029 0.184765743 0.185207313 0.190991173 0.198025617 0.210672682 0.211967832 0.218264588 0.227144033 0.237327364 0.249769837 0.259917621 0.264900413 0.298697225 0.305931872 0.313071670 0.327121604 0.356032781 0.420833915 0.442561461 0.487034281 0.534334215 0.575088491 0.590036588 0.637280908 0.654258080 0.687783660 0.710117847 0.756918497 0.773589781 0.782288806 0.785503897 0.787944421 0.790456696 0.809299636 0.821238921 0.826021083 0.829810140 0.839621405 0.852646542 0.870375376 0.875807853 0.881366635 0.892511190 0.894242855 0.918373909 0.920298384 0.923496142 0.951942345 0.970692207 0.977251080 0.986803098 0.991892491 1.026727026 1.072828105 1.383438419 1.486078316</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">169</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79428661" y3="-1.26801327" z3="1.91111555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8197712" y3="-1.67245113" z3="1.99646637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15021308" y3="-2.07004976" z3="1.50530192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82230296" y3="-0.44913582" z3="1.16673548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29572724" y3="-0.77078383" z3="3.26619534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25409893" y3="-0.40590763" z3="3.16476193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27749883" y3="-1.60573971" z3="3.98685594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1655947" y3="0.33832983" z3="3.8588189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19766717" y3="-0.03938114" z3="3.96047691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20280549" y3="1.19194445" z3="3.15225104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68701227" y3="0.82846262" z3="5.22053296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24397264" y3="1.7335153" z3="5.5425241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62571514" y3="1.13853898" z3="5.16235886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8542206" y3="-0.18476293" z3="6.35754412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27702204" y3="-0.73244831" z3="8.76047174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25655662" y3="-1.19814369" z3="8.97579879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97883684" y3="-0.19550456" z3="9.68544696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28592169" y3="-1.87921523" z3="8.50197893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64597784" y3="-2.43338139" z3="7.61628436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31303508" y3="-2.58328988" z3="9.35837068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14868486" y3="-1.4120252" z3="8.25973987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53964029" y3="-0.92615207" z3="9.17710129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12811051" y3="-0.62996065" z3="7.47964113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11687297" y3="-2.51460213" z3="7.82099071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10064827" y3="-2.06179073" z3="7.59197829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75217475" y3="-2.95145871" z3="6.87247762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31500913" y3="-3.63230319" z3="8.84473305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64395979" y3="-3.2228899" z3="9.81763739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37785002" y3="-4.18826555" z3="9.02038113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.07766163" y3="-4.35890766" z3="8.50902249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45691582" y3="-1.26161164" z3="6.15451558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.416649" y3="0.25660943" z3="7.63007083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72944205" y3="1.11078849" z3="7.63402563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31587479" y3="0.77657508" z3="5.87121884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54942692" y3="1.48955592" z3="5.52949356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25851817" y3="0.98351971" z3="5.32749785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97018688" y3="-0.23945422" z3="5.60949815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49992132" y3="0.9083776" z3="7.38022607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75958123" y3="1.95447953" z3="7.62683919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35593576" y3="0.27958652" z3="7.69645126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27004822" y3="0.48660233" z3="8.18787195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93220472" y3="-0.50078129" z3="7.82154683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55658703" y3="0.35058306" z3="9.24966123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11959964" y3="1.51544937" z3="8.14746652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1735702" y3="2.51174179" z3="7.40841597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60188227" y3="1.60420743" z3="9.13909495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7943,-1.268,1.9111;-3.8198,-1.6725,1.9965;-2.1502,-2.07,1.5053;-2.8223,-.4491,1.1667;-2.2957,-.7708,3.2662;-1.2541,-.4059,3.1648;-2.2775,-1.6057,3.9869;-3.1656,.3383,3.8588;-4.1977,-.0394,3.9605;-3.2028,1.1919,3.1523;-2.687,.8285,5.2205;-3.244,1.7335,5.5425;-1.6257,1.1385,5.1624;-2.8542,-.1848,6.3575;-2.277,-.7324,8.7605;-3.2566,-1.1981,8.9758;-1.9788,-.1955,9.6854;-1.2859,-1.8792,8.502;-1.646,-2.4334,7.6163;-1.313,-2.5833,9.3584;.1487,-1.412,8.2597;.5396,-.9262,9.1771;.1281,-.63,7.4796;1.1169,-2.5146,7.821;2.1006,-2.0618,7.592;.7522,-2.9515,6.8725;1.315,-3.6323,8.8447;1.644,-3.2229,9.8176;.3779,-4.1883,9.0204;2.0777,-4.3589,8.509;-3.4569,-1.2616,6.1545;-2.4166,.2566,7.6301;-1.7294,1.1108,7.634;-6.3159,.7766,5.8712;-5.5494,1.4896,5.5295;-7.2585,.9835,5.3275;-5.9702,-.2395,5.6095;-6.4999,.9084,7.3802;-6.7596,1.9545,7.6268;-7.3559,.2796,7.6965;-5.27,.4866,8.1879;-4.9322,-.5008,7.8215;-5.5566,.3506,9.2497;-4.1196,1.5154,8.1475;-4.1736,2.5117,7.4084;-3.6019,1.6042,9.1391;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724496701344</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001430262412 0.000381042468 0.036204290073 0.008511870905</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045438838 -0.001076663 0.000079808 0.000436439 0.000744530 0.000995556 0.001289674 0.002367746 0.002697181 0.003410472 0.004887246 0.005073557 0.006110965 0.006748708 0.007368124 0.010429221 0.010781896 0.011299434 0.014009245 0.015782195 0.018893251 0.020960199 0.021423127 0.023390254 0.025680790 0.026208972 0.026932583 0.030408636 0.032447826 0.035782251 0.037446163 0.039552706 0.044257248 0.046561242 0.048030665 0.050341585 0.050838063 0.051835399 0.052937661 0.053410058 0.055122265 0.058201678 0.060010065 0.063005514 0.064754502 0.066386811 0.068733522 0.069647289 0.073095749 0.076847071 0.078764370 0.080200348 0.081460797 0.081802680 0.088897214 0.090516689 0.093876910 0.098599021 0.100764033 0.111316815 0.113201361 0.115077032 0.118677732 0.120217724 0.124434091 0.130048859 0.132709796 0.145355208 0.149498380 0.151658792 0.153618448 0.154520165 0.159810624 0.164164820 0.165738794 0.176812493 0.184878565 0.185234885 0.191077066 0.198230919 0.210754014 0.211977930 0.218302239 0.227138492 0.237371022 0.249707872 0.259941664 0.264898977 0.298664606 0.305944762 0.313156950 0.327183241 0.356038340 0.420867021 0.442575701 0.487071405 0.534358560 0.575104610 0.590140470 0.637291310 0.654278376 0.687843653 0.710144860 0.756922287 0.773622669 0.782370690 0.785517721 0.787963844 0.790476014 0.809321319 0.821250240 0.826024267 0.829914231 0.839728170 0.852649508 0.870474631 0.875861670 0.881499102 0.892517739 0.894267481 0.918442368 0.920309346 0.923585336 0.951983747 0.970790478 0.977407890 0.986833974 0.991906896 1.026811313 1.072911285 1.383553084 1.486104449</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">170</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80378309" y3="-1.25878696" z3="1.90206677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83008515" y3="-1.65890936" z3="1.98660543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16336595" y3="-2.06186283" z3="1.49364406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82875362" y3="-0.43846853" z3="1.15998711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30244005" y3="-0.76789806" z3="3.25801325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26052957" y3="-0.40489096" z3="3.15562977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2838683" y3="-1.60507565" z3="3.97526083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16899281" y3="0.34057509" z3="3.85651826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20154583" y3="-0.03539938" z3="3.95807177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20557162" y3="1.19673206" z3="3.15292785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68758864" y3="0.82545143" z3="5.21926178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24131489" y3="1.73183866" z3="5.54383554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62518595" y3="1.13225139" z3="5.16073036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85709479" y3="-0.18941983" z3="6.35471322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27788968" y3="-0.74175952" z3="8.75609295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25951716" y3="-1.20738936" z3="8.96852836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98293071" y3="-0.20870956" z3="9.68324191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28427208" y3="-1.88817575" z3="8.49459157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64374228" y3="-2.43953528" z3="7.60573341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31043266" y3="-2.59431056" z3="9.34853644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14906287" y3="-1.41874269" z3="8.25566195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.5364802" y3="-0.92277569" z3="9.1705928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13039435" y3="-0.64301779" z3="7.46954397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12289783" y3="-2.52142787" z3="7.82934732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10288463" y3="-2.06433657" z3="7.59272368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75873656" y3="-2.97459015" z3="6.88709457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32718322" y3="-3.62245705" z3="8.87034407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65754209" y3="-3.19609682" z3="9.83695295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39476784" y3="-4.18288565" z3="9.05658542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09306546" y3="-4.34882139" z3="8.54191895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46197559" y3="-1.26479318" z3="6.15061678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41810806" y3="0.24973913" z3="7.62781671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72856006" y3="1.10217924" z3="7.63212151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31616378" y3="0.78229468" z3="5.86973701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54573208" y3="1.49141046" z3="5.53081416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25650804" y3="0.99551404" z3="5.3276529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97130632" y3="-0.23309865" z3="5.60631028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.5020953" y3="0.91237945" z3="7.38135189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75987696" y3="1.95802905" z3="7.63027455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35872732" y3="0.28419863" z3="7.69565224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27118553" y3="0.48735082" z3="8.188344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93543532" y3="-0.49947387" z3="7.82002599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55598354" y3="0.35060225" z3="9.25039757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11779819" y3="1.51329636" z3="8.14949619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16934741" y3="2.51104007" z3="7.41190888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59927553" y3="1.59868237" z3="9.14061125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8038,-1.2588,1.9021;-3.8301,-1.6589,1.9866;-2.1634,-2.0619,1.4936;-2.8288,-.4385,1.16;-2.3024,-.7679,3.258;-1.2605,-.4049,3.1556;-2.2839,-1.6051,3.9753;-3.169,.3406,3.8565;-4.2015,-.0354,3.9581;-3.2056,1.1967,3.1529;-2.6876,.8255,5.2193;-3.2413,1.7318,5.5438;-1.6252,1.1323,5.1607;-2.8571,-.1894,6.3547;-2.2779,-.7418,8.7561;-3.2595,-1.2074,8.9685;-1.9829,-.2087,9.6832;-1.2843,-1.8882,8.4946;-1.6437,-2.4395,7.6057;-1.3104,-2.5943,9.3485;.1491,-1.4187,8.2557;.5365,-.9228,9.1706;.1304,-.643,7.4695;1.1229,-2.5214,7.8293;2.1029,-2.0643,7.5927;.7587,-2.9746,6.8871;1.3272,-3.6225,8.8703;1.6575,-3.1961,9.837;.3948,-4.1829,9.0566;2.0931,-4.3488,8.5419;-3.462,-1.2648,6.1506;-2.4181,.2497,7.6278;-1.7286,1.1022,7.6321;-6.3162,.7823,5.8697;-5.5457,1.4914,5.5308;-7.2565,.9955,5.3277;-5.9713,-.2331,5.6063;-6.5021,.9124,7.3814;-6.7599,1.958,7.6303;-7.3587,.2842,7.6957;-5.2712,.4874,8.1883;-4.9354,-.4995,7.82;-5.556,.3506,9.2504;-4.1178,1.5133,8.1495;-4.1693,2.511,7.4119;-3.5993,1.5987,9.1406;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724495378597</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001679785789 0.000399785498 0.034918130533 0.008523785416</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045416553 -0.000626004 -0.000023890 0.000432968 0.000747784 0.000998372 0.001300782 0.002370313 0.002691996 0.003421534 0.004878749 0.005106402 0.006109604 0.006759463 0.007435235 0.010510725 0.010774106 0.011311966 0.014015178 0.015792084 0.018896708 0.020971720 0.021423949 0.023389369 0.025681357 0.026210862 0.026939714 0.030408736 0.032448021 0.035783042 0.037449015 0.039552425 0.044259672 0.046569289 0.048036602 0.050341082 0.050844609 0.051854685 0.052940953 0.053417267 0.055120183 0.058205514 0.060025157 0.063012901 0.064773512 0.066387071 0.068755205 0.069708550 0.073103137 0.076849385 0.078767680 0.080196082 0.081467852 0.081803894 0.088904420 0.090516830 0.093877111 0.098597375 0.100808855 0.111323475 0.113202310 0.115132042 0.118682651 0.120220962 0.124457815 0.130054100 0.132756266 0.145427366 0.149497850 0.151662812 0.153618566 0.154529293 0.159860692 0.164170745 0.165752241 0.176813789 0.184947657 0.185247840 0.191184082 0.198242090 0.210777558 0.211981204 0.218312237 0.227190934 0.237401712 0.249851750 0.259957841 0.264956333 0.298677524 0.305945347 0.313225831 0.327186055 0.356048747 0.420866293 0.442583802 0.487128499 0.534361458 0.575105774 0.590339223 0.637306258 0.654284279 0.687922643 0.710162255 0.756924200 0.773630668 0.782496420 0.785525548 0.787970786 0.790482684 0.809323953 0.821259489 0.826030941 0.829945423 0.839759824 0.852649532 0.870529259 0.875939795 0.881755126 0.892517678 0.894284800 0.918471388 0.920311511 0.923588121 0.951998093 0.970999773 0.977431580 0.986869819 0.992015822 1.026876713 1.072940356 1.383577706 1.486109539</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">171</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80462496" y3="-1.24628648" z3="1.89686788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83299662" y3="-1.64431659" z3="1.97752204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16553383" y3="-2.04911373" z3="1.48497437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82646112" y3="-0.4210574" z3="1.15949865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30462599" y3="-0.76361552" z3="3.25664745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26031496" y3="-0.40522886" z3="3.15964298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2932499" y3="-1.60415988" z3="3.97099104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16787411" y3="0.34698486" z3="3.85599756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20196199" y3="-0.02554022" z3="3.95648637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20119195" y3="1.20428552" z3="3.15366218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68558832" y3="0.82901852" z3="5.21918886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23890298" y3="1.73491518" z3="5.54531001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62317616" y3="1.13530898" z3="5.16064674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8546252" y3="-0.18714373" z3="6.35322473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27551203" y3="-0.73840648" z3="8.7559894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25647092" y3="-1.20101816" z3="8.97481095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.97475599" y3="-0.20232026" z3="9.67965287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28761771" y3="-1.88802243" z3="8.49679714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65323454" y3="-2.44634297" z3="7.61608466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30996302" y3="-2.58714086" z3="9.35709683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14605181" y3="-1.42420337" z3="8.24200834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53799377" y3="-0.91552711" z3="9.14702196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12324413" y3="-0.66059381" z3="7.44351125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11557004" y3="-2.53555371" z3="7.82886854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09442506" y3="-2.08440538" z3="7.57523807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.74374211" y3="-3.00550867" z3="6.89843254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33096365" y3="-3.61817066" z3="8.88724731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.66809715" y3="-3.17436488" z3="9.8428726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.3993696" y3="-4.17442865" z3="9.09150355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09438307" y3="-4.3508144" z3="8.56755677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45942831" y3="-1.26239117" z3="6.14827764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41568053" y3="0.25143391" z3="7.62637561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72676522" y3="1.10432823" z3="7.63066221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3157457" y3="0.77531518" z3="5.87191872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5509738" y3="1.48977767" z3="5.52965343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26010227" y3="0.98042958" z3="5.32999356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96729835" y3="-0.23926793" z3="5.60966016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49898034" y3="0.9051837" z3="7.38151082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75945666" y3="1.95062035" z3="7.63014222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3553538" y3="0.27610185" z3="7.69778437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26835223" y3="0.48283343" z3="8.18696974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93074321" y3="-0.50442318" z3="7.81936208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55267341" y3="0.34485976" z3="9.24881377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11688623" y3="1.51079027" z3="8.14617943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17204286" y3="2.5080962" z3="7.40780391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59864396" y3="1.59953953" z3="9.13742692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8046,-1.2463,1.8969;-3.833,-1.6443,1.9775;-2.1655,-2.0491,1.485;-2.8265,-.4211,1.1595;-2.3046,-.7636,3.2566;-1.2603,-.4052,3.1596;-2.2932,-1.6042,3.971;-3.1679,.347,3.856;-4.202,-.0255,3.9565;-3.2012,1.2043,3.1537;-2.6856,.829,5.2192;-3.2389,1.7349,5.5453;-1.6232,1.1353,5.1606;-2.8546,-.1871,6.3532;-2.2755,-.7384,8.756;-3.2565,-1.201,8.9748;-1.9748,-.2023,9.6797;-1.2876,-1.888,8.4968;-1.6532,-2.4463,7.6161;-1.31,-2.5871,9.3571;.1461,-1.4242,8.242;.538,-.9155,9.147;.1232,-.6606,7.4435;1.1156,-2.5356,7.8289;2.0944,-2.0844,7.5752;.7437,-3.0055,6.8984;1.331,-3.6182,8.8872;1.6681,-3.1744,9.8429;.3994,-4.1744,9.0915;2.0944,-4.3508,8.5676;-3.4594,-1.2624,6.1483;-2.4157,.2514,7.6264;-1.7268,1.1043,7.6307;-6.3157,.7753,5.8719;-5.551,1.4898,5.5297;-7.2601,.9804,5.33;-5.9673,-.2393,5.6097;-6.499,.9052,7.3815;-6.7595,1.9506,7.6301;-7.3554,.2761,7.6978;-5.2684,.4828,8.187;-4.9307,-.5044,7.8194;-5.5527,.3449,9.2488;-4.1169,1.5108,8.1462;-4.172,2.5081,7.4078;-3.5986,1.5995,9.1374;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724490655956</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001452840689 0.000336154374 0.035470222419 0.008501817240</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045414497 -0.000032266 -0.000005250 0.000434836 0.000747442 0.001000536 0.001317031 0.002370091 0.002689730 0.003444252 0.004878249 0.005118628 0.006109598 0.006772979 0.007463261 0.010564506 0.010778621 0.011321178 0.014014615 0.015797069 0.018897698 0.020972207 0.021421965 0.023398173 0.025680305 0.026212361 0.026947830 0.030408690 0.032446012 0.035789268 0.037450819 0.039552692 0.044263851 0.046573748 0.048040396 0.050340786 0.050847812 0.051866551 0.052944276 0.053417908 0.055120102 0.058212493 0.060042917 0.063017394 0.064803215 0.066387197 0.068770407 0.069714721 0.073104805 0.076849227 0.078763192 0.080192851 0.081471740 0.081802104 0.088902930 0.090517718 0.093877554 0.098592629 0.100828678 0.111329660 0.113203468 0.115160393 0.118684692 0.120227081 0.124460801 0.130056822 0.132794936 0.145491101 0.149497709 0.151663640 0.153616525 0.154530086 0.159884324 0.164182189 0.165755027 0.176813502 0.184975870 0.185251437 0.191254132 0.198265336 0.210801957 0.211993852 0.218326092 0.227205384 0.237403688 0.249810469 0.259961005 0.264961809 0.298682626 0.305953736 0.313291119 0.327229065 0.356053691 0.420867484 0.442593209 0.487142427 0.534361358 0.575105795 0.590527227 0.637327281 0.654283959 0.687947151 0.710202097 0.756924143 0.773635901 0.782677530 0.785525925 0.787984145 0.790483100 0.809323767 0.821267055 0.826031859 0.829945091 0.839786845 0.852650566 0.870572304 0.875997350 0.882027168 0.892517296 0.894313323 0.918492159 0.920311367 0.923607129 0.952087760 0.971086887 0.977440216 0.986913897 0.992231847 1.026956266 1.072947323 1.383582753 1.486114169</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">172</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8052112" y3="-1.25809316" z3="1.90190258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.83197351" y3="-1.65848467" z3="1.98619694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.16469361" y3="-2.06090979" z3="1.49266202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83043835" y3="-0.43664217" z3="1.16071631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.3039812" y3="-0.7682738" z3="3.25846681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2612093" y3="-0.40688596" z3="3.15751084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28798448" y3="-1.60589271" z3="3.97577263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16932729" y3="0.34162344" z3="3.85604636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20254909" y3="-0.03284744" z3="3.95743041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2044184" y3="1.19768909" z3="3.15231991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6876226" y3="0.82608514" z3="5.21871149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24115659" y3="1.73230269" z3="5.5436402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62525334" y3="1.13267425" z3="5.16014575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85688324" y3="-0.1891908" z3="6.35364115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2783016" y3="-0.74258212" z3="8.75486081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25888883" y3="-1.20919599" z3="8.96694425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98384735" y3="-0.20852887" z3="9.68180338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28451796" y3="-1.88785929" z3="8.49562329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64233" y3="-2.44093085" z3="7.60801594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31114644" y3="-2.5931674" z3="9.35050481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14934545" y3="-1.41796554" z3="8.25646297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.5351565" y3="-0.92238702" z3="9.17127168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13007024" y3="-0.64252852" z3="7.46988274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12352659" y3="-2.52076454" z3="7.83145107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10412746" y3="-2.06453172" z3="7.59595964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76070288" y3="-2.97302847" z3="6.88907969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32843907" y3="-3.62277086" z3="8.87087355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65763296" y3="-3.19761849" z3="9.83744836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.3952336" y3="-4.18218938" z3="9.05603333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.0943209" y3="-4.34941271" z3="8.54346656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46222264" y3="-1.26425483" z3="6.14923985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41744665" y3="0.2490777" z3="7.62674669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72783743" y3="1.10142564" z3="7.63155324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31569125" y3="0.78297428" z3="5.87075677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54647874" y3="1.49354378" z3="5.53094185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25731617" y3="0.99456706" z3="5.32822517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97194554" y3="-0.23280154" z3="5.6069825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50023545" y3="0.91216918" z3="7.3809604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75804782" y3="1.95799629" z3="7.6299823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35788897" y3="0.28474796" z3="7.69578776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27048296" y3="0.48621395" z3="8.18708238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93537101" y3="-0.50120298" z3="7.81859565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55556203" y3="0.34874705" z3="9.24877989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11687545" y3="1.5119192" z3="8.14779331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1688242" y3="2.50988718" z3="7.41044825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59856378" y3="1.59775395" z3="9.13916676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8052,-1.2581,1.9019;-3.832,-1.6585,1.9862;-2.1647,-2.0609,1.4927;-2.8304,-.4366,1.1607;-2.304,-.7683,3.2585;-1.2612,-.4069,3.1575;-2.288,-1.6059,3.9758;-3.1693,.3416,3.856;-4.2025,-.0328,3.9574;-3.2044,1.1977,3.1523;-2.6876,.8261,5.2187;-3.2412,1.7323,5.5436;-1.6253,1.1327,5.1601;-2.8569,-.1892,6.3536;-2.2783,-.7426,8.7549;-3.2589,-1.2092,8.9669;-1.9838,-.2085,9.6818;-1.2845,-1.8879,8.4956;-1.6423,-2.4409,7.608;-1.3111,-2.5932,9.3505;.1493,-1.418,8.2565;.5352,-.9224,9.1713;.1301,-.6425,7.4699;1.1235,-2.5208,7.8315;2.1041,-2.0645,7.596;.7607,-2.973,6.8891;1.3284,-3.6228,8.8709;1.6576,-3.1976,9.8374;.3952,-4.1822,9.056;2.0943,-4.3494,8.5435;-3.4622,-1.2643,6.1492;-2.4174,.2491,7.6267;-1.7278,1.1014,7.6316;-6.3157,.783,5.8708;-5.5465,1.4935,5.5309;-7.2573,.9946,5.3282;-5.9719,-.2328,5.607;-6.5002,.9122,7.381;-6.758,1.958,7.63;-7.3579,.2847,7.6958;-5.2705,.4862,8.1871;-4.9354,-.5012,7.8186;-5.5556,.3487,9.2488;-4.1169,1.5119,8.1478;-4.1688,2.5099,7.4104;-3.5986,1.5978,9.1392;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724502670725</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000379087385 0.000079219999 0.026313893443 0.008536084333</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045334774 -0.001493906 0.000181440 0.000379413 0.000650787 0.001016815 0.001278160 0.002387709 0.002629417 0.003156895 0.004752823 0.005002880 0.006103139 0.006804540 0.007542218 0.010668940 0.010798544 0.011290401 0.014001001 0.015781526 0.018910485 0.020947741 0.021422111 0.023518932 0.025677077 0.026255355 0.026912871 0.030409188 0.032443378 0.035868863 0.037452552 0.039549931 0.044277925 0.046595739 0.048062739 0.050341464 0.050853458 0.051855553 0.052981380 0.053431233 0.055191433 0.058204042 0.060056981 0.063073247 0.065079755 0.066386424 0.068968031 0.069956513 0.073138874 0.076843300 0.078754931 0.080207551 0.081529531 0.081807985 0.088880313 0.090520104 0.093877570 0.098595589 0.101003801 0.111368177 0.113208052 0.115287266 0.118689796 0.120237897 0.124493311 0.130113484 0.133190765 0.145773136 0.149507986 0.151655010 0.153622304 0.154567756 0.160130342 0.164259507 0.165761810 0.176818521 0.185220379 0.185252668 0.191489257 0.198301241 0.211170987 0.212012929 0.218429277 0.227228844 0.237390479 0.249986484 0.260103997 0.265012984 0.298710009 0.305962870 0.313517010 0.327274837 0.356041377 0.420950529 0.442646256 0.487140783 0.534371323 0.575132772 0.591411395 0.637468735 0.654286633 0.688205329 0.710620036 0.756923360 0.773646808 0.783178476 0.785523318 0.788076027 0.790491488 0.809368465 0.821395167 0.826042474 0.830052386 0.839846694 0.852652379 0.870768231 0.876158230 0.883483712 0.892521757 0.894470617 0.918515205 0.920323016 0.923648239 0.952202781 0.971551580 0.977465704 0.987165070 0.992963959 1.027259460 1.073203516 1.383682754 1.486123399</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">173</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.8153311" y3="-1.25212325" z3="1.88986704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84305096" y3="-1.65120493" z3="1.96840132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17544176" y3="-2.0536179" z3="1.47698922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83670601" y3="-0.42547318" z3="1.1540816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.31631255" y3="-0.77258278" z3="3.25103809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26872512" y3="-0.42264816" z3="3.15768325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.3139762" y3="-1.61255463" z3="3.9657056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17183691" y3="0.34564005" z3="3.84761213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20974752" y3="-0.0172372" z3="3.94537202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19556114" y3="1.20296015" z3="3.14461214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68758435" y3="0.82449751" z3="5.21143036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23816673" y3="1.73161656" z3="5.53965402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62440654" y3="1.12852353" z3="5.15214161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8582836" y3="-0.19251504" z3="6.34451336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27925167" y3="-0.7481626" z3="8.74640443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26012816" y3="-1.21631712" z3="8.95460438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98953969" y3="-0.21396237" z3="9.67431013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28202323" y3="-1.89231112" z3="8.49181784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63241316" y3="-2.4462206" z3="7.60130186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3150866" y3="-2.59738938" z3="9.34709387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15214979" y3="-1.41818697" z3="8.26585717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52806779" y3="-0.92141907" z3="9.18504084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13776307" y3="-0.64196007" z3="7.48015827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13466911" y3="-2.51685597" z3="7.84845081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11595422" y3="-2.05749465" z3="7.62227353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.7817334" y3="-2.96915696" z3="6.90220609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33320585" y3="-3.61977971" z3="8.88815564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65578147" y3="-3.19476245" z3="9.85733294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39970965" y3="-4.18048082" z3="9.06637216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.10277861" y3="-4.3447976" z3="8.56566758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46546525" y3="-1.26605861" z3="6.13950028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4179354" y3="0.24433876" z3="7.61869835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72461661" y3="1.0939321" z3="7.62249707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.32145411" y3="0.78861299" z3="5.87582761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55091171" y3="1.4987721" z3="5.53919841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26343028" y3="1.00614688" z3="5.33820925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98074289" y3="-0.22636945" z3="5.605472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49993325" y3="0.91324535" z3="7.38852095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75394485" y3="1.95861684" z3="7.64070423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35510269" y3="0.28454315" z3="7.70454711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26587678" y3="0.48248061" z3="8.18739662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93379793" y3="-0.5028479" z3="7.81201495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54690124" y3="0.33973176" z3="9.25033104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10948743" y3="1.50550995" z3="8.14517251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16327473" y3="2.50441232" z3="7.40821738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.58933361" y3="1.5913661" z3="9.13543117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8153,-1.2521,1.8899;-3.8431,-1.6512,1.9684;-2.1754,-2.0536,1.477;-2.8367,-.4255,1.1541;-2.3163,-.7726,3.251;-1.2687,-.4226,3.1577;-2.314,-1.6126,3.9657;-3.1718,.3456,3.8476;-4.2097,-.0172,3.9454;-3.1956,1.203,3.1446;-2.6876,.8245,5.2114;-3.2382,1.7316,5.5397;-1.6244,1.1285,5.1521;-2.8583,-.1925,6.3445;-2.2793,-.7482,8.7464;-3.2601,-1.2163,8.9546;-1.9895,-.214,9.6743;-1.282,-1.8923,8.4918;-1.6324,-2.4462,7.6013;-1.3151,-2.5974,9.3471;.1521,-1.4182,8.2659;.5281,-.9214,9.185;.1378,-.642,7.4802;1.1347,-2.5169,7.8485;2.116,-2.0575,7.6223;.7817,-2.9692,6.9022;1.3332,-3.6198,8.8882;1.6558,-3.1948,9.8573;.3997,-4.1805,9.0664;2.1028,-4.3448,8.5657;-3.4655,-1.2661,6.1395;-2.4179,.2443,7.6187;-1.7246,1.0939,7.6225;-6.3215,.7886,5.8758;-5.5509,1.4988,5.5392;-7.2634,1.0061,5.3382;-5.9807,-.2264,5.6055;-6.4999,.9132,7.3885;-6.7539,1.9586,7.6407;-7.3551,.2845,7.7045;-5.2659,.4825,8.1874;-4.9338,-.5028,7.812;-5.5469,.3397,9.2503;-4.1095,1.5055,8.1452;-4.1633,2.5044,7.4082;-3.5893,1.5914,9.1354;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724490096027</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001653580751 0.000383342273 0.037234650848 0.008519399590</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045219521 -0.000828766 0.000116392 0.000419990 0.000716744 0.001024801 0.001403620 0.002410141 0.002697796 0.003420377 0.004762846 0.005002870 0.006105465 0.006814425 0.007549406 0.010697619 0.010796683 0.011298129 0.013995929 0.015787095 0.018911583 0.020957830 0.021433347 0.023528692 0.025674886 0.026251921 0.026898777 0.030412941 0.032445339 0.035874317 0.037453351 0.039550621 0.044284371 0.046599277 0.048068825 0.050340927 0.050856353 0.051856343 0.052984789 0.053430007 0.055357614 0.058205792 0.060061138 0.063111172 0.065136968 0.066392082 0.068997968 0.069948652 0.073139167 0.076843728 0.078760114 0.080210998 0.081525132 0.081820968 0.088946843 0.090620152 0.093877939 0.098600417 0.101016109 0.111369089 0.113208600 0.115291578 0.118689275 0.120241226 0.124493236 0.130126735 0.133216313 0.145817661 0.149509298 0.151656428 0.153624593 0.154592607 0.160143973 0.164264772 0.165769183 0.176819133 0.185222695 0.185255486 0.191512652 0.198327912 0.211289844 0.212017220 0.218450662 0.227231198 0.237415234 0.250042201 0.260108827 0.265025698 0.298732733 0.305966812 0.313590465 0.327275388 0.356040738 0.420971020 0.442682374 0.487142544 0.534374372 0.575136269 0.591643727 0.637475149 0.654287242 0.688221132 0.710745271 0.756927665 0.773656447 0.783295992 0.785523979 0.788116846 0.790501907 0.809394807 0.821474416 0.826055273 0.830120375 0.839864273 0.852652463 0.870808918 0.876230815 0.883795972 0.892521521 0.894477899 0.918520034 0.920323299 0.923684329 0.952221492 0.971666335 0.977508965 0.987191428 0.993165753 1.027294114 1.073420884 1.383717442 1.486125282</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">174</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.82096192" y3="-1.24105256" z3="1.88312064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.85541923" y3="-1.62429262" z3="1.95630742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.19063462" y3="-2.05179571" z3="1.47212721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82600917" y3="-0.41327733" z3="1.14834889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.32191485" y3="-0.77064802" z3="3.24707857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.27443962" y3="-0.42260503" z3="3.15508999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32058015" y3="-1.61386792" z3="3.95691966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17549648" y3="0.34490849" z3="3.84984874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.2120865" y3="-0.01917009" z3="3.94983483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2019952" y3="1.20351559" z3="3.14940452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68905603" y3="0.82064539" z3="5.21416537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23703474" y3="1.72883853" z3="5.54322391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62496266" y3="1.12147673" z3="5.1553969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86188342" y3="-0.19681626" z3="6.34643765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28271577" y3="-0.75796736" z3="8.74559162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26230881" y3="-1.2282717" z3="8.95134833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99338596" y3="-0.22578956" z3="9.67590135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28249989" y3="-1.89800788" z3="8.48877576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63431406" y3="-2.45128448" z3="7.5987344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30885277" y3="-2.60477551" z3="9.34203213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15100907" y3="-1.42249873" z3="8.25658087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52572771" y3="-0.91535234" z3="9.16950353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13366062" y3="-0.65493969" z3="7.46195199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13522067" y3="-2.52395032" z3="7.85074967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11244887" y3="-2.06263552" z3="7.61089373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.77860601" y3="-2.99362481" z3="6.91410144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.34703003" y3="-3.60860807" z3="8.90769729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.67598482" y3="-3.16690535" z3="9.86714468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.41708439" y3="-4.17045557" z3="9.10360681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.11593385" y3="-4.33664721" z3="8.58977948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47135337" y3="-1.26895554" z3="6.14041454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42059642" y3="0.23759019" z3="7.62078788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7255248" y3="1.0854629" z3="7.62623795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31553725" y3="0.79293086" z3="5.87390469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54455709" y3="1.50275437" z3="5.5352068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25734671" y3="1.01090318" z3="5.33329329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97761031" y3="-0.22300746" z3="5.60512083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49674998" y3="0.91605847" z3="7.38438362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.751908" y3="1.9626512" z3="7.63724449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35735648" y3="0.29123833" z3="7.69807061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26687976" y3="0.48307348" z3="8.18559285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93826855" y3="-0.50449891" z3="7.81190438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.54723002" y3="0.34203836" z3="9.24760457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.10913829" y3="1.50490634" z3="8.14619902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.15913194" y3="2.50570441" z3="7.41207188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59093404" y3="1.587461" z3="9.13815345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.821,-1.2411,1.8831;-3.8554,-1.6243,1.9563;-2.1906,-2.0518,1.4721;-2.826,-.4133,1.1483;-2.3219,-.7706,3.2471;-1.2744,-.4226,3.1551;-2.3206,-1.6139,3.9569;-3.1755,.3449,3.8498;-4.2121,-.0192,3.9498;-3.202,1.2035,3.1494;-2.6891,.8206,5.2142;-3.237,1.7288,5.5432;-1.625,1.1215,5.1554;-2.8619,-.1968,6.3464;-2.2827,-.758,8.7456;-3.2623,-1.2283,8.9513;-1.9934,-.2258,9.6759;-1.2825,-1.898,8.4888;-1.6343,-2.4513,7.5987;-1.3089,-2.6048,9.342;.151,-1.4225,8.2566;.5257,-.9154,9.1695;.1337,-.6549,7.462;1.1352,-2.524,7.8507;2.1124,-2.0626,7.6109;.7786,-2.9936,6.9141;1.347,-3.6086,8.9077;1.676,-3.1669,9.8671;.4171,-4.1705,9.1036;2.1159,-4.3366,8.5898;-3.4714,-1.269,6.1404;-2.4206,.2376,7.6208;-1.7255,1.0855,7.6262;-6.3155,.7929,5.8739;-5.5446,1.5028,5.5352;-7.2573,1.0109,5.3333;-5.9776,-.223,5.6051;-6.4967,.9161,7.3844;-6.7519,1.9627,7.6372;-7.3574,.2912,7.6981;-5.2669,.4831,8.1856;-4.9383,-.5045,7.8119;-5.5472,.342,9.2476;-4.1091,1.5049,8.1462;-4.1591,2.5057,7.4121;-3.5909,1.5875,9.1382;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724487821895</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001740642441 0.000431091208 0.038530249029 0.008501197705</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045227617 -0.000147464 0.000129440 0.000416650 0.000701519 0.001023257 0.001422681 0.002421677 0.002711034 0.003478123 0.004800945 0.005000489 0.006109887 0.006818780 0.007557416 0.010706103 0.010794272 0.011317456 0.013992721 0.015795140 0.018914382 0.020964775 0.021451784 0.023546073 0.025674927 0.026251502 0.026922807 0.030419841 0.032446421 0.035885697 0.037453382 0.039550740 0.044288304 0.046607650 0.048070111 0.050340574 0.050858011 0.051859079 0.052984744 0.053439119 0.055495666 0.058214375 0.060067261 0.063140040 0.065214258 0.066393183 0.069009774 0.069949714 0.073138728 0.076844541 0.078757552 0.080217390 0.081529423 0.081840400 0.088974472 0.090688436 0.093878537 0.098605531 0.101038267 0.111370272 0.113208912 0.115319673 0.118689535 0.120241484 0.124495637 0.130138210 0.133231999 0.145863648 0.149513384 0.151661075 0.153629566 0.154636340 0.160153746 0.164276356 0.165775050 0.176834132 0.185253928 0.185257256 0.191514587 0.198334525 0.211351650 0.212022134 0.218500431 0.227227472 0.237458120 0.250021624 0.260107165 0.265051137 0.298775278 0.305969282 0.313766629 0.327273617 0.356040885 0.420971915 0.442815826 0.487158568 0.534426752 0.575163078 0.591948911 0.637486038 0.654298430 0.688226589 0.710843349 0.756952478 0.773675253 0.783347848 0.785523957 0.788203393 0.790512392 0.809440300 0.821547630 0.826074698 0.830177045 0.839892946 0.852653406 0.870872343 0.876245787 0.884117420 0.892523517 0.894486602 0.918523957 0.920323006 0.923758356 0.952227031 0.971687344 0.977520730 0.987204665 0.993340373 1.027316816 1.073541861 1.383762129 1.486127794</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">175</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.81451743" y3="-1.25369743" z3="1.89317374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.84362727" y3="-1.64877156" z3="1.97432265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.17745635" y3="-2.05880323" z3="1.48255422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.83376917" y3="-0.42985687" z3="1.15444308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.31301442" y3="-0.77075987" z3="3.25202175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26832189" y3="-0.41479405" z3="3.15362433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30237653" y3="-1.61030044" z3="3.96678053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17307803" y3="0.34187601" z3="3.85183905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20780088" y3="-0.02804789" z3="3.95323923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20473596" y3="1.19889726" z3="3.14927533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6885629" y3="0.82277716" z3="5.21487617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.23927287" y3="1.73008285" z3="5.54174797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62538917" y3="1.12659515" z3="5.15567047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85932482" y3="-0.19339261" z3="6.34873339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28062008" y3="-0.75126118" z3="8.74856196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26082666" y3="-1.22092858" z3="8.95488044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99144638" y3="-0.21873156" z3="9.67817396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28191513" y3="-1.89294683" z3="8.49117473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63249048" y3="-2.44384909" z3="7.59920968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.311994" y3="-2.60145966" z3="9.34317026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15223375" y3="-1.41809981" z3="8.26384204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52897384" y3="-0.92248504" z3="9.18249809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13670906" y3="-0.6414714" z3="7.47838331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13379555" y3="-2.5167127" z3="7.84490419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11417313" y3="-2.05631891" z3="7.61660992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.77943073" y3="-2.96977238" z3="6.89963751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33582645" y3="-3.61877212" z3="8.88489584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65931917" y3="-3.19344192" z3="9.85333409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.40313097" y3="-4.18066579" z3="9.06507656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.10507725" y3="-4.34337482" z3="8.56081283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46704238" y3="-1.26687278" z3="6.14380058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41836715" y3="0.24274116" z3="7.62236901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72592634" y3="1.09283938" z3="7.62755572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31807679" y3="0.79081092" z3="5.87303128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54647426" y3="1.4995582" z3="5.53458069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25940334" y3="1.00824153" z3="5.3324359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97911398" y3="-0.2253833" z3="5.60516406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.49957718" y3="0.91622672" z3="7.38406095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75485618" y3="1.96215194" z3="7.63587536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35783788" y3="0.28963702" z3="7.69878143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.26862626" y3="0.48560229" z3="8.18618512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93698686" y3="-0.50135463" z3="7.81353219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55084114" y3="0.34547134" z3="9.2483212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11240415" y3="1.50866903" z3="8.14655096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16320041" y3="2.50782581" z3="7.41044993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.593364" y3="1.5927789" z3="9.13772652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8145,-1.2537,1.8932;-3.8436,-1.6488,1.9743;-2.1775,-2.0588,1.4826;-2.8338,-.4299,1.1544;-2.313,-.7708,3.252;-1.2683,-.4148,3.1536;-2.3024,-1.6103,3.9668;-3.1731,.3419,3.8518;-4.2078,-.028,3.9532;-3.2047,1.1989,3.1493;-2.6886,.8228,5.2149;-3.2393,1.7301,5.5417;-1.6254,1.1266,5.1557;-2.8593,-.1934,6.3487;-2.2806,-.7513,8.7486;-3.2608,-1.2209,8.9549;-1.9914,-.2187,9.6782;-1.2819,-1.8929,8.4912;-1.6325,-2.4438,7.5992;-1.312,-2.6015,9.3432;.1522,-1.4181,8.2638;.529,-.9225,9.1825;.1367,-.6415,7.4784;1.1338,-2.5167,7.8449;2.1142,-2.0563,7.6166;.7794,-2.9698,6.8996;1.3358,-3.6188,8.8849;1.6593,-3.1934,9.8533;.4031,-4.1807,9.0651;2.1051,-4.3434,8.5608;-3.467,-1.2669,6.1438;-2.4184,.2427,7.6224;-1.7259,1.0928,7.6276;-6.3181,.7908,5.873;-5.5465,1.4996,5.5346;-7.2594,1.0082,5.3324;-5.9791,-.2254,5.6052;-6.4996,.9162,7.3841;-6.7549,1.9622,7.6359;-7.3578,.2896,7.6988;-5.2686,.4856,8.1862;-4.937,-.5014,7.8135;-5.5508,.3455,9.2483;-4.1124,1.5087,8.1466;-4.1632,2.5078,7.4104;-3.5934,1.5928,9.1377;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724501818464</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000358075881 0.000077411922 0.031983563271 0.008493155043</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045183004 -0.000000999 0.000143415 0.000290785 0.000634418 0.001037610 0.001362783 0.002421489 0.002703072 0.003288997 0.004823973 0.004992294 0.006113004 0.006819161 0.007539493 0.010704526 0.010796783 0.011333040 0.013984098 0.015794667 0.018915747 0.020968513 0.021470535 0.023559096 0.025676678 0.026253874 0.026930701 0.030424298 0.032446136 0.035891276 0.037454679 0.039551212 0.044292813 0.046610642 0.048072438 0.050340940 0.050858382 0.051859752 0.052981729 0.053437773 0.055628096 0.058222451 0.060072053 0.063148578 0.065256782 0.066391110 0.069012226 0.069949320 0.073146042 0.076846263 0.078760766 0.080229626 0.081529521 0.081864068 0.088985598 0.090744207 0.093878896 0.098611932 0.101058847 0.111371571 0.113208471 0.115340923 0.118689418 0.120240613 0.124497658 0.130143010 0.133236224 0.145893110 0.149516744 0.151664111 0.153637286 0.154661259 0.160157843 0.164287384 0.165779236 0.176838571 0.185258389 0.185268921 0.191514497 0.198352146 0.211377223 0.212025674 0.218545905 0.227241045 0.237479782 0.250067206 0.260108043 0.265073372 0.298802376 0.305975296 0.313833057 0.327276494 0.356042539 0.420970787 0.442881865 0.487166563 0.534456320 0.575175278 0.592076169 0.637489746 0.654302973 0.688229275 0.710883705 0.756964899 0.773688317 0.783361744 0.785524085 0.788238855 0.790518707 0.809462080 0.821579319 0.826084791 0.830206247 0.839908279 0.852653980 0.870918603 0.876248373 0.884262070 0.892524284 0.894494257 0.918528393 0.920323715 0.923798899 0.952232235 0.971711670 0.977527394 0.987222812 0.993402249 1.027323388 1.073586347 1.383784607 1.486129633</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">176</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80129752" y3="-1.26582338" z3="1.90469463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82755774" y3="-1.66805501" z3="1.98913013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15880075" y3="-2.06882039" z3="1.49841699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82719442" y3="-0.44630508" z3="1.16098909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30219687" y3="-0.77151296" z3="3.26046387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25986296" y3="-0.40888745" z3="3.15959586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28567783" y3="-1.60724188" z3="3.98000252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16937815" y3="0.33879646" z3="3.85461188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.2024358" y3="-0.03625045" z3="3.95544467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20412358" y3="1.19352087" z3="3.1492082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6893939" y3="0.8258227" z3="5.21705216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24411942" y3="1.73180809" z3="5.54057909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6273599" y3="1.13357049" z3="5.15883732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85823367" y3="-0.18857931" z3="6.35284335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27912739" y3="-0.74281626" z3="8.75295957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25953859" y3="-1.21091241" z3="8.962217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98712703" y3="-0.20988359" z3="9.68126503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28323729" y3="-1.886246" z3="8.49334422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63660668" y3="-2.43549026" z3="7.60136606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31341178" y3="-2.5956124" z3="9.34474875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15135727" y3="-1.41378267" z3="8.26376623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53357925" y3="-0.92630296" z3="9.18475841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.1352983" y3="-0.63118814" z3="7.4839831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12722339" y3="-2.51255667" z3="7.8323752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10978906" y3="-2.0542963" z3="7.60864627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76993533" y3="-2.95388904" z3="6.88228047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.3231622" y3="-3.62682272" z3="8.860823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64637998" y3="-3.21301188" z3="9.83473493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38799284" y3="-4.18754018" z3="9.033093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09031344" y3="-4.35072146" z3="8.53000564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46411998" y3="-1.26350723" z3="6.14923854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41782119" y3="0.24960438" z3="7.62555049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72809095" y3="1.10181261" z3="7.63031133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31817201" y3="0.7856516" z3="5.87352971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54726333" y3="1.49426665" z3="5.53374901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25943385" y3="1.00052048" z3="5.33193204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97799546" y3="-0.23106592" z3="5.60832324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50079991" y3="0.91437622" z3="7.38404639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75781266" y3="1.96033969" z3="7.63356086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3583798" y3="0.28735819" z3="7.69980502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27019038" y3="0.48754839" z3="8.18831167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93578961" y3="-0.49946232" z3="7.81828899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55377729" y3="0.34935608" z3="9.25032042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1167623" y3="1.51321221" z3="8.14840438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.1686897" y3="2.51103941" z3="7.41116188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59722019" y3="1.598436" z3="9.13911765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8013,-1.2658,1.9047;-3.8276,-1.6681,1.9891;-2.1588,-2.0688,1.4984;-2.8272,-.4463,1.161;-2.3022,-.7715,3.2605;-1.2599,-.4089,3.1596;-2.2857,-1.6072,3.98;-3.1694,.3388,3.8546;-4.2024,-.0363,3.9554;-3.2041,1.1935,3.1492;-2.6894,.8258,5.2171;-3.2441,1.7318,5.5406;-1.6274,1.1336,5.1588;-2.8582,-.1886,6.3528;-2.2791,-.7428,8.753;-3.2595,-1.2109,8.9622;-1.9871,-.2099,9.6813;-1.2832,-1.8862,8.4933;-1.6366,-2.4355,7.6014;-1.3134,-2.5956,9.3447;.1514,-1.4138,8.2638;.5336,-.9263,9.1848;.1353,-.6312,7.484;1.1272,-2.5126,7.8324;2.1098,-2.0543,7.6086;.7699,-2.9539,6.8823;1.3232,-3.6268,8.8608;1.6464,-3.213,9.8347;.388,-4.1875,9.0331;2.0903,-4.3507,8.53;-3.4641,-1.2635,6.1492;-2.4178,.2496,7.6256;-1.7281,1.1018,7.6303;-6.3182,.7857,5.8735;-5.5473,1.4943,5.5337;-7.2594,1.0005,5.3319;-5.978,-.2311,5.6083;-6.5008,.9144,7.384;-6.7578,1.9603,7.6336;-7.3584,.2874,7.6998;-5.2702,.4875,8.1883;-4.9358,-.4995,7.8183;-5.5538,.3494,9.2503;-4.1168,1.5132,8.1484;-4.1687,2.511,7.4112;-3.5972,1.5984,9.1391;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724503698656</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000494057972 0.000123575773 0.023054261362 0.006320908044</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045144308 0.000065232 0.000093074 0.000240041 0.000744082 0.001167468 0.001355217 0.002403456 0.002675241 0.003360774 0.004765330 0.004968348 0.006110416 0.006791939 0.007508988 0.010666632 0.010789474 0.011342685 0.013950583 0.015764027 0.018901226 0.020950040 0.021471513 0.023563132 0.025637300 0.026253176 0.026921039 0.030427124 0.032450343 0.035893053 0.037459098 0.039551112 0.044291815 0.046618326 0.048106947 0.050342729 0.050858511 0.051856928 0.052983146 0.053430423 0.055763312 0.058212674 0.060048903 0.063155417 0.065253641 0.066387494 0.069022435 0.069944497 0.073153121 0.076846665 0.078767522 0.080235591 0.081504868 0.081883687 0.088971238 0.090769241 0.093878092 0.098619797 0.101050384 0.111364385 0.113207412 0.115390171 0.118693374 0.120255941 0.124498852 0.130143578 0.133261734 0.145920933 0.149518446 0.151666246 0.153641674 0.154660500 0.160182133 0.164287538 0.165797423 0.176843613 0.185250922 0.185271272 0.191531433 0.198380033 0.211372949 0.212021844 0.218528431 0.227274677 0.237481981 0.250030761 0.260095558 0.265068991 0.298868094 0.305973483 0.313831956 0.327302208 0.356046397 0.421006558 0.442946882 0.487174166 0.534451761 0.575176541 0.592131893 0.637507023 0.654312811 0.688263059 0.710910574 0.756967738 0.773707129 0.783370822 0.785524660 0.788233397 0.790521116 0.809474522 0.821608086 0.826091518 0.830258957 0.839921920 0.852653529 0.870972040 0.876253186 0.884334973 0.892525566 0.894499003 0.918527523 0.920335698 0.923861447 0.952243869 0.971727721 0.977525368 0.987228143 0.993428468 1.027400488 1.073684255 1.383864925 1.486142390</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">177</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80495986" y3="-1.27282929" z3="1.90814578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82747233" y3="-1.68188159" z3="2.00006036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.1595597" y3="-2.07194799" z3="1.49968726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.84142813" y3="-0.4556661" z3="1.16283706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30065741" y3="-0.77183736" z3="3.25950996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26114644" y3="-0.40281078" z3="3.1513378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27434873" y3="-1.60595705" z3="3.98059759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17153573" y3="0.33426818" z3="3.85630827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20244717" y3="-0.04602597" z3="3.96004896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21238912" y3="1.18900483" z3="3.15125319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69048728" y3="0.82252136" z3="5.2179354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24486002" y3="1.72878569" z3="5.54132219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62844433" y3="1.13027914" z3="5.15905958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.8591333" y3="-0.19169392" z3="6.3540806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28150311" y3="-0.74669437" z3="8.75388882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26146147" y3="-1.2180026" z3="8.95880382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99402686" y3="-0.21388608" z3="9.68410072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28167819" y3="-1.88725829" z3="8.49565073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62964293" y3="-2.43457571" z3="7.60039514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31444281" y3="-2.59962954" z3="9.34464494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15290936" y3="-1.41084516" z3="8.27518753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53161522" y3="-0.93308483" z3="9.20235576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13769638" y3="-0.62020748" z3="7.50386061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13205227" y3="-2.50351943" z3="7.8346452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11532841" y3="-2.04209676" z3="7.62128604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.78021332" y3="-2.93259564" z3="6.87736927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32573608" y3="-3.63052582" z3="8.84952245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64374709" y3="-3.22935446" z3="9.83008564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39037583" y3="-4.19383242" z3="9.01003873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09530556" y3="-4.34902795" z3="8.51319834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46465283" y3="-1.26686313" z3="6.15050376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4187828" y3="0.24653138" z3="7.62695159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7286804" y3="1.09854123" z3="7.6321729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31674294" y3="0.79207112" z3="5.86973843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54251783" y3="1.49795112" z3="5.53183008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25591495" y3="1.01038098" z3="5.32650873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.978581" y3="-0.22529375" z3="5.60459379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50201199" y3="0.92117872" z3="7.38045364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75668116" y3="1.96726703" z3="7.6299211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36062622" y3="0.29524078" z3="7.69424415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27298403" y3="0.49151038" z3="8.18708368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94003613" y3="-0.49631988" z3="7.81797927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55934013" y3="0.35479615" z3="9.24864881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11666032" y3="1.51419298" z3="8.14862474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16535617" y3="2.51230195" z3="7.41144835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59775449" y3="1.59789656" z3="9.13996748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.805,-1.2728,1.9081;-3.8275,-1.6819,2.0001;-2.1596,-2.0719,1.4997;-2.8414,-.4557,1.1628;-2.3007,-.7718,3.2595;-1.2611,-.4028,3.1513;-2.2743,-1.606,3.9806;-3.1715,.3343,3.8563;-4.2024,-.046,3.96;-3.2124,1.189,3.1513;-2.6905,.8225,5.2179;-3.2449,1.7288,5.5413;-1.6284,1.1303,5.1591;-2.8591,-.1917,6.3541;-2.2815,-.7467,8.7539;-3.2615,-1.218,8.9588;-1.994,-.2139,9.6841;-1.2817,-1.8873,8.4957;-1.6296,-2.4346,7.6004;-1.3144,-2.5996,9.3446;.1529,-1.4108,8.2752;.5316,-.9331,9.2024;.1377,-.6202,7.5039;1.1321,-2.5035,7.8346;2.1153,-2.0421,7.6213;.7802,-2.9326,6.8774;1.3257,-3.6305,8.8495;1.6437,-3.2294,9.8301;.3904,-4.1938,9.01;2.0953,-4.349,8.5132;-3.4647,-1.2669,6.1505;-2.4188,.2465,7.627;-1.7287,1.0985,7.6322;-6.3167,.7921,5.8697;-5.5425,1.498,5.5318;-7.2559,1.0104,5.3265;-5.9786,-.2253,5.6046;-6.502,.9212,7.3805;-6.7567,1.9673,7.6299;-7.3606,.2952,7.6942;-5.273,.4915,8.1871;-4.94,-.4963,7.818;-5.5593,.3548,9.2486;-4.1167,1.5142,8.1486;-4.1654,2.5123,7.4114;-3.5978,1.5979,9.14;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724502152357</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000618915543 0.000156620759 0.028801750095 0.008513412263</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045093844 -0.000041918 0.000106270 0.000262261 0.000762648 0.001108306 0.001454129 0.002373016 0.002651080 0.003362490 0.004722066 0.004966543 0.006109071 0.006793751 0.007477945 0.010640250 0.010792697 0.011348303 0.013935026 0.015760088 0.018899933 0.020949456 0.021477391 0.023569670 0.025609484 0.026254217 0.026930496 0.030427254 0.032452367 0.035896242 0.037464526 0.039550626 0.044293228 0.046619160 0.048116261 0.050344782 0.050862516 0.051857063 0.052984844 0.053427247 0.055809112 0.058222566 0.060084929 0.063166016 0.065265977 0.066389715 0.069023128 0.069964545 0.073152394 0.076854908 0.078773133 0.080228445 0.081506954 0.081883220 0.088971720 0.090793984 0.093877972 0.098623293 0.101056534 0.111359608 0.113207833 0.115392700 0.118693922 0.120278620 0.124506952 0.130143901 0.133263875 0.145926558 0.149533520 0.151672315 0.153634241 0.154646641 0.160193685 0.164282325 0.165867832 0.176844266 0.185261038 0.185284416 0.191625011 0.198400783 0.211368022 0.212018996 0.218541433 0.227308496 0.237481800 0.250075974 0.260089523 0.265084998 0.298883286 0.305975190 0.313870481 0.327300355 0.356049433 0.421018732 0.442962440 0.487198131 0.534456814 0.575196824 0.592179084 0.637519876 0.654339541 0.688287966 0.710912745 0.756968653 0.773724273 0.783385366 0.785524880 0.788307195 0.790527503 0.809474981 0.821616277 0.826095997 0.830288307 0.839924158 0.852653528 0.870996630 0.876272381 0.884355831 0.892529784 0.894502801 0.918530949 0.920338296 0.923872155 0.952246926 0.971749306 0.977558505 0.987235342 0.993478953 1.027416701 1.073725957 1.383949127 1.486157423</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">178</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79629079" y3="-1.26836478" z3="1.91104179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82090457" y3="-1.67330606" z3="1.99807255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15228161" y3="-2.0699276" z3="1.50509761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82604705" y3="-0.45061911" z3="1.16597793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29618222" y3="-0.77002872" z3="3.26492487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25534992" y3="-0.40364248" z3="3.16131176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2750057" y3="-1.6046138" z3="3.98560444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16666011" y3="0.33780329" z3="3.858961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19838432" y3="-0.04077671" z3="3.96054394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20475316" y3="1.19201399" z3="3.15310575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68790686" y3="0.8271084" z3="5.22099093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24422295" y3="1.73257612" z3="5.54334074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62630967" y3="1.13654373" z3="5.16296994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85581001" y3="-0.18635785" z3="6.35782777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.2775051" y3="-0.73527007" z3="8.7600016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25803233" y3="-1.20132626" z3="8.9742479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98132199" y3="-0.20008212" z3="9.68593212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28501789" y3="-1.88158509" z3="8.49971387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64445773" y3="-2.43395108" z3="7.61219014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31192644" y3="-2.58722834" z3="9.35442243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14906362" y3="-1.41315371" z3="8.25996422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53910834" y3="-0.92663816" z3="9.17786427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12914529" y3="-0.63098362" z3="7.48015657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11894675" y3="-2.51484934" z3="7.8216374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10166645" y3="-2.06005512" z3="7.59248429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.7548667" y3="-2.95358873" z3="6.87338558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31826311" y3="-3.63062901" z3="8.84750448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.647342" y3="-3.21912565" z3="9.82006677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38263361" y3="-4.1886666" z3="9.02384856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08196637" y3="-4.35587431" z3="8.51200336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.45879372" y3="-1.26306928" z3="6.1548152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41789885" y3="0.25479004" z3="7.63049855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.7301121" y3="1.10865611" z3="7.63443182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31461279" y3="0.77923659" z3="5.86930115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54529304" y3="1.4895604" z3="5.52958474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25519702" y3="0.98935928" z3="5.32521426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96919415" y3="-0.23654582" z3="5.60750034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50155769" y3="0.91118686" z3="7.37944668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76050957" y3="1.95696132" z3="7.62628382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35829769" y3="0.28298826" z3="7.69397789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2721179" y3="0.48812872" z3="8.1885036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93508064" y3="-0.49933889" z3="7.82236039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55933087" y3="0.35270723" z3="9.24996864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11989637" y3="1.51539736" z3="8.14916206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17239219" y3="2.51245448" z3="7.41079161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60231607" y3="1.60258236" z3="9.1408529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7963,-1.2684,1.911;-3.8209,-1.6733,1.9981;-2.1523,-2.0699,1.5051;-2.826,-.4506,1.166;-2.2962,-.77,3.2649;-1.2553,-.4036,3.1613;-2.275,-1.6046,3.9856;-3.1667,.3378,3.859;-4.1984,-.0408,3.9605;-3.2048,1.192,3.1531;-2.6879,.8271,5.221;-3.2442,1.7326,5.5433;-1.6263,1.1365,5.163;-2.8558,-.1864,6.3578;-2.2775,-.7353,8.76;-3.258,-1.2013,8.9742;-1.9813,-.2001,9.6859;-1.285,-1.8816,8.4997;-1.6445,-2.434,7.6122;-1.3119,-2.5872,9.3544;.1491,-1.4132,8.26;.5391,-.9266,9.1779;.1291,-.631,7.4802;1.1189,-2.5148,7.8216;2.1017,-2.0601,7.5925;.7549,-2.9536,6.8734;1.3183,-3.6306,8.8475;1.6473,-3.2191,9.8201;.3826,-4.1887,9.0238;2.082,-4.3559,8.512;-3.4588,-1.2631,6.1548;-2.4179,.2548,7.6305;-1.7301,1.1087,7.6344;-6.3146,.7792,5.8693;-5.5453,1.4896,5.5296;-7.2552,.9894,5.3252;-5.9692,-.2365,5.6075;-6.5016,.9112,7.3794;-6.7605,1.957,7.6263;-7.3583,.283,7.694;-5.2721,.4881,8.1885;-4.9351,-.4993,7.8224;-5.5593,.3527,9.25;-4.1199,1.5154,8.1492;-4.1724,2.5125,7.4108;-3.6023,1.6026,9.1409;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724503678638</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000403820488 0.000114577756 0.033672948043 0.008714921456</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.045040028 -0.000115197 0.000161196 0.000243682 0.000635903 0.001012737 0.001461672 0.002381108 0.002645034 0.003359384 0.004732757 0.004934403 0.006111722 0.006747732 0.007373395 0.010524549 0.010802770 0.011309287 0.013952308 0.015762242 0.018896571 0.020957816 0.021470679 0.023552948 0.025598721 0.026238519 0.026951951 0.030430800 0.032443736 0.035883830 0.037467521 0.039550806 0.044282806 0.046630722 0.048128110 0.050345639 0.050867425 0.051880829 0.052980752 0.053428614 0.055841985 0.058225895 0.060099464 0.063143246 0.065252849 0.066389879 0.069016602 0.069981376 0.073141763 0.076862858 0.078772163 0.080222296 0.081530058 0.081903452 0.088963689 0.090798440 0.093879397 0.098620770 0.101061744 0.111348959 0.113210037 0.115530728 0.118704958 0.120294604 0.124513929 0.130142301 0.133268879 0.145968090 0.149545178 0.151688191 0.153633551 0.154649470 0.160216822 0.164286299 0.165913804 0.176845997 0.185270892 0.185309887 0.191690934 0.198388792 0.211317265 0.212015282 0.218536183 0.227342340 0.237496467 0.250104877 0.260074316 0.265113357 0.298984061 0.305968659 0.313924021 0.327306911 0.356056618 0.421012690 0.443015971 0.487239783 0.534465485 0.575210256 0.592290957 0.637527877 0.654345593 0.688327073 0.710900300 0.756971972 0.773759989 0.783421040 0.785530836 0.788340101 0.790535557 0.809481694 0.821623142 0.826103835 0.830308241 0.839976221 0.852653056 0.871016238 0.876287311 0.884501756 0.892532543 0.894505480 0.918547895 0.920339573 0.923901252 0.952262742 0.971793457 0.977575623 0.987243801 0.993543795 1.027496289 1.073760963 1.384009293 1.486165398</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">179</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78776544" y3="-1.28415995" z3="1.92671097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80819503" y3="-1.69849918" z3="2.02195233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13810869" y3="-2.08256601" z3="1.5229493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82919495" y3="-0.47156648" z3="1.1763098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28607569" y3="-0.77211804" z3="3.27496761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24771509" y3="-0.40047707" z3="3.16550156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25833521" y3="-1.60159415" z3="4.00158491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16113009" y3="0.33520389" z3="3.86354876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19222687" y3="-0.04561442" z3="3.96254794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19865162" y3="1.18798865" z3="3.15595563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.68794789" y3="0.82697913" z3="5.22656653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24519171" y3="1.73274755" z3="5.54614716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62617349" y3="1.13614408" z3="5.17245256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86006492" y3="-0.18599249" z3="6.36317287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28325762" y3="-0.73964986" z3="8.76324116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26296184" y3="-1.20848144" z3="8.97343677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99022739" y3="-0.20704918" z3="9.69151912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28692547" y3="-1.88265477" z3="8.50060489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64567465" y3="-2.43514351" z3="7.61274173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.30959299" y3="-2.58936949" z3="9.35447106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14568325" y3="-1.40961174" z3="8.25783402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53915061" y3="-0.92812692" z3="9.1772653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12166873" y3="-0.62251206" z3="7.48277088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11516367" y3="-2.50569442" z3="7.80785993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09655138" y3="-2.04693365" z3="7.57876028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.74785274" y3="-2.93765342" z3="6.85699706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31801839" y3="-3.62991149" z3="8.82377267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65109536" y3="-3.2264834" z3="9.79870373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38309031" y3="-4.19058004" z3="8.99896969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08021294" y3="-4.35217936" z3="8.47833042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46386104" y3="-1.26175705" z3="6.15850831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42374209" y3="0.25343222" z3="7.6366674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73507966" y3="1.10631413" z3="7.64242126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31016486" y3="0.78319447" z3="5.86570068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53857909" y3="1.49189858" z3="5.52699683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.24810377" y3="0.99405906" z3="5.31632045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.96736939" y3="-0.23441696" z3="5.60736089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50244492" y3="0.91828262" z3="7.37398095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75972461" y3="1.96601302" z3="7.61783426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36327314" y3="0.29369157" z3="7.6860884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27855269" y3="0.49355784" z3="8.1896123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94291505" y3="-0.4961963" z3="7.82793064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.57087975" y3="0.3630728" z3="9.25026273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12332599" y3="1.51757166" z3="8.154597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17101963" y3="2.51609284" z3="7.41818785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60800386" y3="1.60120496" z3="9.14777166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7878,-1.2842,1.9267;-3.8082,-1.6985,2.022;-2.1381,-2.0826,1.5229;-2.8292,-.4716,1.1763;-2.2861,-.7721,3.275;-1.2477,-.4005,3.1655;-2.2583,-1.6016,4.0016;-3.1611,.3352,3.8635;-4.1922,-.0456,3.9625;-3.1987,1.188,3.156;-2.6879,.827,5.2266;-3.2452,1.7327,5.5461;-1.6262,1.1361,5.1725;-2.8601,-.186,6.3632;-2.2833,-.7396,8.7632;-3.263,-1.2085,8.9734;-1.9902,-.207,9.6915;-1.2869,-1.8827,8.5006;-1.6457,-2.4351,7.6127;-1.3096,-2.5894,9.3545;.1457,-1.4096,8.2578;.5392,-.9281,9.1773;.1217,-.6225,7.4828;1.1152,-2.5057,7.8079;2.0966,-2.0469,7.5788;.7479,-2.9377,6.857;1.318,-3.6299,8.8238;1.6511,-3.2265,9.7987;.3831,-4.1906,8.999;2.0802,-4.3522,8.4783;-3.4639,-1.2618,6.1585;-2.4237,.2534,7.6367;-1.7351,1.1063,7.6424;-6.3102,.7832,5.8657;-5.5386,1.4919,5.527;-7.2481,.9941,5.3163;-5.9674,-.2344,5.6074;-6.5024,.9183,7.374;-6.7597,1.966,7.6178;-7.3633,.2937,7.6861;-5.2786,.4936,8.1896;-4.9429,-.4962,7.8279;-5.5709,.3631,9.2503;-4.1233,1.5176,8.1546;-4.171,2.5161,7.4182;-3.608,1.6012,9.1478;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724496770295</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000874652243 0.000259932985 0.033339770284 0.008512821224</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044909800 -0.000208910 0.000089534 0.000465920 0.000653651 0.000986307 0.001440399 0.002391978 0.002653364 0.003365328 0.004745606 0.004950241 0.006113239 0.006676970 0.007390748 0.010523738 0.010815118 0.011318371 0.013913307 0.015761382 0.018888800 0.020945016 0.021479832 0.023541958 0.025600119 0.026239000 0.026940325 0.030429820 0.032447013 0.035881374 0.037471880 0.039549813 0.044281674 0.046625701 0.048124644 0.050345031 0.050862179 0.051863865 0.052985545 0.053422157 0.055860730 0.058226193 0.060106508 0.063158608 0.065244033 0.066384703 0.069006883 0.069990903 0.073145046 0.076862279 0.078780517 0.080227515 0.081524871 0.081910362 0.088961523 0.090802099 0.093878884 0.098623668 0.101068532 0.111348361 0.113209640 0.115516444 0.118708547 0.120317451 0.124518666 0.130141062 0.133285681 0.145954098 0.149554087 0.151706421 0.153635386 0.154644791 0.160211975 0.164285115 0.165918055 0.176816118 0.185274048 0.185301772 0.191694559 0.198391325 0.211334428 0.212015110 0.218557128 0.227347718 0.237494102 0.250120658 0.260077756 0.265114550 0.298950133 0.305978244 0.313949249 0.327319553 0.356058152 0.421012595 0.443039375 0.487230102 0.534469146 0.575209285 0.592310102 0.637531167 0.654350564 0.688304320 0.710908638 0.756972051 0.773789189 0.783435444 0.785532031 0.788345213 0.790537824 0.809481819 0.821628647 0.826104888 0.830318674 0.840001326 0.852653227 0.870998661 0.876283112 0.884535787 0.892535072 0.894514018 0.918552903 0.920343314 0.923911525 0.952280978 0.971785356 0.977555149 0.987243003 0.993542649 1.027519627 1.073776759 1.384015953 1.486173153</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">180</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78847012" y3="-1.29033294" z3="1.92430328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80807829" y3="-1.70594363" z3="2.01782818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13668924" y3="-2.08792314" z3="1.52292982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82954787" y3="-0.47908632" z3="1.1728685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29014176" y3="-0.77628734" z3="3.27266631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25220417" y3="-0.40376098" z3="3.16459393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26203929" y3="-1.60445233" z3="3.99997812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16695555" y3="0.33041439" z3="3.85896151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19732848" y3="-0.05160077" z3="3.95930416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20590262" y3="1.18140736" z3="3.14951471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69344356" y3="0.82557895" z3="5.22078743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25218519" y3="1.73083893" z3="5.53979797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63230765" y3="1.13711099" z3="5.16506531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86246137" y3="-0.18638211" z3="6.35878953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28202232" y3="-0.73885591" z3="8.75860066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26187244" y3="-1.20911779" z3="8.96814658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99070775" y3="-0.2064033" z3="9.68734685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28431323" y3="-1.87993254" z3="8.49608098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63458326" y3="-2.42482458" z3="7.60036468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31631692" y3="-2.59453643" z3="9.34306781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1502929" y3="-1.40427527" z3="8.27473934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53361313" y3="-0.93607653" z3="9.20523828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13413345" y3="-0.6060632" z3="7.51121379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12512416" y3="-2.49544881" z3="7.81868249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11020514" y3="-2.03495049" z3="7.61210005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.77160692" y3="-2.90990493" z3="6.85555628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31377251" y3="-3.63740272" z3="8.81778971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.63389537" y3="-3.25092667" z3="9.80386551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37593851" y3="-4.19869241" z3="8.97045951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08007197" y3="-4.35477951" z3="8.47143408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46704792" y3="-1.26237132" z3="6.15663513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42286508" y3="0.25405867" z3="7.6314533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73325209" y3="1.10665745" z3="7.6351117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31195601" y3="0.78986553" z3="5.86986664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.53577534" y3="1.49442905" z3="5.53438374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2490459" y3="1.00862312" z3="5.32326862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9734402" y3="-0.22776934" z3="5.60634506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50273003" y3="0.92098693" z3="7.3798959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75857093" y3="1.96715381" z3="7.62583082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36273492" y3="0.2959324" z3="7.69234293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2764693" y3="0.4929316" z3="8.19078332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94182702" y3="-0.49532631" z3="7.82414272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56611803" y3="0.3570496" z3="9.25148289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.12011853" y3="1.51589927" z3="8.15296638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17066968" y3="2.51501216" z3="7.41648092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60243082" y3="1.59993364" z3="9.14482284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7885,-1.2903,1.9243;-3.8081,-1.7059,2.0178;-2.1367,-2.0879,1.5229;-2.8295,-.4791,1.1729;-2.2901,-.7763,3.2727;-1.2522,-.4038,3.1646;-2.262,-1.6045,4;-3.167,.3304,3.859;-4.1973,-.0516,3.9593;-3.2059,1.1814,3.1495;-2.6934,.8256,5.2208;-3.2522,1.7308,5.5398;-1.6323,1.1371,5.1651;-2.8625,-.1864,6.3588;-2.282,-.7389,8.7586;-3.2619,-1.2091,8.9681;-1.9907,-.2064,9.6873;-1.2843,-1.8799,8.4961;-1.6346,-2.4248,7.6004;-1.3163,-2.5945,9.3431;.1503,-1.4043,8.2747;.5336,-.9361,9.2052;.1341,-.6061,7.5112;1.1251,-2.4954,7.8187;2.1102,-2.035,7.6121;.7716,-2.9099,6.8556;1.3138,-3.6374,8.8178;1.6339,-3.2509,9.8039;.3759,-4.1987,8.9705;2.0801,-4.3548,8.4714;-3.467,-1.2624,6.1566;-2.4229,.2541,7.6315;-1.7333,1.1067,7.6351;-6.312,.7899,5.8699;-5.5358,1.4944,5.5344;-7.249,1.0086,5.3233;-5.9734,-.2278,5.6063;-6.5027,.921,7.3799;-6.7586,1.9672,7.6258;-7.3627,.2959,7.6923;-5.2765,.4929,8.1908;-4.9418,-.4953,7.8241;-5.5661,.357,9.2515;-4.1201,1.5159,8.153;-4.1707,2.515,7.4165;-3.6024,1.5999,9.1448;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724495801895</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000895047575 0.000252392177 0.035096364646 0.008511750798</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044921821 0.000070273 0.000192894 0.000382237 0.000644329 0.000987446 0.001437924 0.002444023 0.002654278 0.003368566 0.004747666 0.004967578 0.006119186 0.006681471 0.007400593 0.010523451 0.010832899 0.011318491 0.013922544 0.015779292 0.018891054 0.020946000 0.021485356 0.023547034 0.025602000 0.026244066 0.026939854 0.030429662 0.032450285 0.035885002 0.037477493 0.039549817 0.044282870 0.046626096 0.048132240 0.050346057 0.050862629 0.051864775 0.052988707 0.053421238 0.055914391 0.058230989 0.060139990 0.063167635 0.065245160 0.066385803 0.069011239 0.070011280 0.073146253 0.076862998 0.078801259 0.080231375 0.081531145 0.081920250 0.088963844 0.090803116 0.093879737 0.098628947 0.101076391 0.111357416 0.113209862 0.115551623 0.118710859 0.120335846 0.124527749 0.130146560 0.133289226 0.145961301 0.149560372 0.151728094 0.153638379 0.154648486 0.160220566 0.164285641 0.165936585 0.176824841 0.185274603 0.185301314 0.191696623 0.198392401 0.211355691 0.212013925 0.218579415 0.227349438 0.237497068 0.250177188 0.260085762 0.265122212 0.298976747 0.305986914 0.313976416 0.327320957 0.356075132 0.421036033 0.443087546 0.487232272 0.534473467 0.575209842 0.592342882 0.637540428 0.654353033 0.688308247 0.710928090 0.756972552 0.773891188 0.783466798 0.785533322 0.788361728 0.790538666 0.809482068 0.821638202 0.826105701 0.830321638 0.840060958 0.852654666 0.871048131 0.876324444 0.884580592 0.892538734 0.894528719 0.918557208 0.920348625 0.923971741 0.952293531 0.971786342 0.977566615 0.987244000 0.993570056 1.027579609 1.073799728 1.384044154 1.486222945</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">181</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79475162" y3="-1.27495369" z3="1.91133579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81766927" y3="-1.68429782" z3="1.99911658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14739012" y3="-2.07411584" z3="1.5056807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82830874" y3="-0.45784686" z3="1.16574164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29622137" y3="-0.77358125" z3="3.26462558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25582996" y3="-0.40616422" z3="3.16106468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27445597" y3="-1.60704007" z3="3.9865093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16809924" y3="0.33425887" z3="3.85661173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19960669" y3="-0.04484758" z3="3.95804693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2061534" y3="1.18752854" z3="3.149728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.690397" y3="0.82513298" z3="5.21845859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24692234" y3="1.73075288" z3="5.54013237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62882911" y3="1.13468197" z3="5.16094604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85898525" y3="-0.18763079" z3="6.35562968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27982689" y3="-0.73890812" z3="8.75631211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25997883" y3="-1.20676004" z3="8.96751353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98637475" y3="-0.20546771" z3="9.68376903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28423223" y3="-1.88248392" z3="8.49559509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63714021" y3="-2.43037732" z3="7.6027773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31515654" y3="-2.59307142" z3="9.34601847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15076831" y3="-1.4099043" z3="8.26809427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53417931" y3="-0.93025676" z3="9.19254726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13495217" y3="-0.62129544" z3="7.49467922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12528043" y3="-2.50556862" z3="7.82694827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10945541" y3="-2.04742341" z3="7.61046841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76929012" y3="-2.93493512" z3="6.87128785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31653051" y3="-3.63195291" z3="8.8422046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6382258" y3="-3.23070854" z3="9.82142276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.37951591" y3="-4.19178842" z3="9.00555587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08286281" y3="-4.3535658" z3="8.50501885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46310239" y3="-1.26360818" z3="6.15305172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42045403" y3="0.25310228" z3="7.62851406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73051569" y3="1.10516992" z3="7.63210409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31694632" y3="0.7860683" z3="5.87295067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.544984" y3="1.49421752" z3="5.53430907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25728486" y3="1.00205252" z3="5.3301239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97739215" y3="-0.23081949" z3="5.60791554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50128269" y3="0.91527851" z3="7.38343081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75874968" y3="1.96147223" z3="7.63177029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35893489" y3="0.28789093" z3="7.69820602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27114545" y3="0.48935676" z3="8.18920623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93637516" y3="-0.49784852" z3="7.81977391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55543789" y3="0.35125647" z3="9.25119537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11716192" y3="1.51490406" z3="8.14924464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16950777" y3="2.51269575" z3="7.41137471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59942516" y3="1.60185786" z3="9.14087674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7948,-1.275,1.9113;-3.8177,-1.6843,1.9991;-2.1474,-2.0741,1.5057;-2.8283,-.4578,1.1657;-2.2962,-.7736,3.2646;-1.2558,-.4062,3.1611;-2.2745,-1.607,3.9865;-3.1681,.3343,3.8566;-4.1996,-.0448,3.958;-3.2062,1.1875,3.1497;-2.6904,.8251,5.2185;-3.2469,1.7308,5.5401;-1.6288,1.1347,5.1609;-2.859,-.1876,6.3556;-2.2798,-.7389,8.7563;-3.26,-1.2068,8.9675;-1.9864,-.2055,9.6838;-1.2842,-1.8825,8.4956;-1.6371,-2.4304,7.6028;-1.3152,-2.5931,9.346;.1508,-1.4099,8.2681;.5342,-.9303,9.1925;.135,-.6213,7.4947;1.1253,-2.5056,7.8269;2.1095,-2.0474,7.6105;.7693,-2.9349,6.8713;1.3165,-3.632,8.8422;1.6382,-3.2307,9.8214;.3795,-4.1918,9.0056;2.0829,-4.3536,8.505;-3.4631,-1.2636,6.1531;-2.4205,.2531,7.6285;-1.7305,1.1052,7.6321;-6.3169,.7861,5.873;-5.545,1.4942,5.5343;-7.2573,1.0021,5.3301;-5.9774,-.2308,5.6079;-6.5013,.9153,7.3834;-6.7587,1.9615,7.6318;-7.3589,.2879,7.6982;-5.2711,.4894,8.1892;-4.9364,-.4978,7.8198;-5.5554,.3513,9.2512;-4.1172,1.5149,8.1492;-4.1695,2.5127,7.4114;-3.5994,1.6019,9.1409;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724504041188</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000298799019 0.000083375380 0.040559185132 0.008493357247</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001506029043 0.001004019362</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044187274 0.000059359 0.000140268 0.000555150 0.000621089 0.000825014 0.001410532 0.002387752 0.002644390 0.003383909 0.004745514 0.004996722 0.006125592 0.006661091 0.007397420 0.010433251 0.010824846 0.011322414 0.013901403 0.015764668 0.018879172 0.020950920 0.021486685 0.023527718 0.025564648 0.026246289 0.026925679 0.030423085 0.032449241 0.035853269 0.037481424 0.039547183 0.044272483 0.046624780 0.048114517 0.050344233 0.050868439 0.051867511 0.052990323 0.053421253 0.056022497 0.058255349 0.060198903 0.063171994 0.065251884 0.066384567 0.069008712 0.070020957 0.073149282 0.076864466 0.078805576 0.080196083 0.081527425 0.081925161 0.088966354 0.090810849 0.093879626 0.098615923 0.101074796 0.111367895 0.113209290 0.115504933 0.118715063 0.120355225 0.124529394 0.130149968 0.133304250 0.145974113 0.149569659 0.151743155 0.153631824 0.154621340 0.160221649 0.164287336 0.165997255 0.176735105 0.185273248 0.185299834 0.191698924 0.198235761 0.211391765 0.212006054 0.218583061 0.227365054 0.237509995 0.250127336 0.260081998 0.265130507 0.298893774 0.305985441 0.314004087 0.327322919 0.356074019 0.421027474 0.443103491 0.487245569 0.534472878 0.575212347 0.592350953 0.637547057 0.654366532 0.688306285 0.710948589 0.756972546 0.773917852 0.783509574 0.785535120 0.788368194 0.790539332 0.809485052 0.821655943 0.826107840 0.830382183 0.840077993 0.852654122 0.871087847 0.876328980 0.884546471 0.892542946 0.894528519 0.918559775 0.920350742 0.923981864 0.952314995 0.971804461 0.977502829 0.987250283 0.993549193 1.027583367 1.073806912 1.384061599 1.486228114</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">182</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.80065223" y3="-1.26161112" z3="1.90248833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8274471" y3="-1.66248464" z3="1.98442776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15862567" y3="-2.06463515" z3="1.4956551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.82415039" y3="-0.44073009" z3="1.1604312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30324275" y3="-0.77044647" z3="3.25992844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26050765" y3="-0.40859114" z3="3.16126636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28840944" y3="-1.60744696" z3="3.97791293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17033029" y3="0.33946241" z3="3.85484431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20337712" y3="-0.03554698" z3="3.95550413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20500696" y3="1.19465161" z3="3.15004739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69035533" y3="0.82553783" z3="5.217535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24505673" y3="1.73129872" z3="5.54179253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62834521" y3="1.13335212" z3="5.15958083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85930825" y3="-0.18928237" z3="6.35277589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27894089" y3="-0.74274796" z3="8.75366162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.2592837" y3="-1.21048806" z3="8.96472332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98586424" y3="-0.20854803" z3="9.68101741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.2834644" y3="-1.88693947" z3="8.49487617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63868196" y3="-2.43924193" z3="7.60558268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31156416" y3="-2.59364882" z3="9.34849561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15059264" y3="-1.41586527" z3="8.26050126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.5352679" y3="-0.92466054" z3="9.17848196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13292765" y3="-0.63655541" z3="7.47761765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.1253226" y3="-2.51737608" z3="7.83125942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10657037" y3="-2.05995349" z3="7.60063681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76448641" y3="-2.96470468" z3="6.88548091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32728099" y3="-3.62497611" z3="8.86606466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65467766" y3="-3.20479084" z3="9.8358838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39374457" y3="-4.1856653" z3="9.04611506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.09361301" y3="-4.35011834" z3="8.53612377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46561781" y3="-1.26380388" z3="6.14924859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.41873579" y3="0.24909224" z3="7.62567185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.72790486" y3="1.10059153" z3="7.62933751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31793817" y3="0.78562379" z3="5.87261883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54760515" y3="1.49474944" z3="5.53278001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25947179" y3="0.99917691" z3="5.33099174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97578904" y3="-0.23041188" z3="5.60777586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50125194" y3="0.91475167" z3="7.3833502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75777355" y3="1.96044287" z3="7.63295213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35869995" y3="0.28773126" z3="7.69916153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27088873" y3="0.48717239" z3="8.18824849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93707794" y3="-0.50015623" z3="7.81889591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.5554792" y3="0.34941114" z3="9.25026395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11584828" y3="1.51146543" z3="8.14739442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16840705" y3="2.50961995" z3="7.40989496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59734888" y3="1.59775217" z3="9.13858999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8007,-1.2616,1.9025;-3.8274,-1.6625,1.9844;-2.1586,-2.0646,1.4957;-2.8242,-.4407,1.1604;-2.3032,-.7704,3.2599;-1.2605,-.4086,3.1613;-2.2884,-1.6074,3.9779;-3.1703,.3395,3.8548;-4.2034,-.0355,3.9555;-3.205,1.1947,3.15;-2.6904,.8255,5.2175;-3.2451,1.7313,5.5418;-1.6283,1.1334,5.1596;-2.8593,-.1893,6.3528;-2.2789,-.7427,8.7537;-3.2593,-1.2105,8.9647;-1.9859,-.2085,9.681;-1.2835,-1.8869,8.4949;-1.6387,-2.4392,7.6056;-1.3116,-2.5936,9.3485;.1506,-1.4159,8.2605;.5353,-.9247,9.1785;.1329,-.6366,7.4776;1.1253,-2.5174,7.8313;2.1066,-2.06,7.6006;.7645,-2.9647,6.8855;1.3273,-3.625,8.8661;1.6547,-3.2048,9.8359;.3937,-4.1857,9.0461;2.0936,-4.3501,8.5361;-3.4656,-1.2638,6.1492;-2.4187,.2491,7.6257;-1.7279,1.1006,7.6293;-6.3179,.7856,5.8726;-5.5476,1.4947,5.5328;-7.2595,.9992,5.331;-5.9758,-.2304,5.6078;-6.5013,.9148,7.3834;-6.7578,1.9604,7.633;-7.3587,.2877,7.6992;-5.2709,.4872,8.1882;-4.9371,-.5002,7.8189;-5.5555,.3494,9.2503;-4.1158,1.5115,8.1474;-4.1684,2.5096,7.4099;-3.5973,1.5978,9.1386;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724503036582</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000551153998 0.000122676164 0.032089247385 0.008469782061</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044049138 0.000012077 0.000136162 0.000409840 0.000569184 0.000666249 0.001390007 0.002322814 0.002639025 0.003487386 0.004580752 0.005005809 0.006130995 0.006615690 0.007317603 0.010380554 0.010936523 0.011321522 0.013814512 0.015740727 0.018899590 0.020929741 0.021470502 0.023547914 0.025564183 0.026227713 0.026917240 0.030422428 0.032446291 0.035839775 0.037492490 0.039546013 0.044248906 0.046627819 0.048107767 0.050340571 0.050868685 0.051872172 0.052977484 0.053412671 0.056104856 0.058241969 0.060263025 0.063188277 0.065249332 0.066381625 0.068990101 0.070019489 0.073155562 0.076863368 0.078837726 0.080194930 0.081541494 0.081936297 0.088958910 0.090774488 0.093881807 0.098598081 0.101044685 0.111370666 0.113208696 0.115507010 0.118713835 0.120368197 0.124546813 0.130152184 0.133321975 0.146031532 0.149561170 0.151764322 0.153631765 0.154609055 0.160267288 0.164295513 0.166029674 0.176664711 0.185255289 0.185319331 0.191587163 0.198107337 0.211358399 0.211999641 0.218578752 0.227313853 0.237523904 0.250048450 0.260091508 0.265106855 0.298863767 0.305984132 0.313968264 0.327337646 0.356076136 0.421031089 0.443082572 0.487253243 0.534468005 0.575210848 0.592385846 0.637534991 0.654355516 0.688322531 0.710962129 0.756970928 0.773933550 0.783523408 0.785537742 0.788367927 0.790539434 0.809489942 0.821665561 0.826106832 0.830401046 0.840091479 0.852653864 0.871037891 0.876333605 0.884603208 0.892544955 0.894530974 0.918558020 0.920352923 0.924010765 0.952310310 0.971831410 0.977442121 0.987255863 0.993572267 1.027552230 1.073816283 1.384094934 1.486234368</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">183</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78100396" y3="-1.26846075" z3="1.90886524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80704059" y3="-1.67275064" z3="1.98400045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13355682" y3="-2.06921346" z3="1.50644408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.8024583" y3="-0.44784101" z3="1.16649214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29360833" y3="-0.77538133" z3="3.26937559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25115305" y3="-0.41078975" z3="3.177136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28074929" y3="-1.6120274" z3="3.98786315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16719134" y3="0.33249779" z3="3.85854244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19916653" y3="-0.04618832" z3="3.95669471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20287559" y3="1.18568557" z3="3.15147971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69299366" y3="0.82398185" z3="5.22139419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25157387" y3="1.7286734" z3="5.54233849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63199566" y3="1.13573382" z3="5.16556625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86132763" y3="-0.18805763" z3="6.35903637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27987218" y3="-0.73476704" z3="8.76120936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25978071" y3="-1.20057514" z3="8.97800097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98199057" y3="-0.1988769" z3="9.68576273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28728262" y3="-1.88119933" z3="8.50022034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64831606" y3="-2.43594993" z3="7.6148115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31122823" y3="-2.58485911" z3="9.35663154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14637966" y3="-1.41268997" z3="8.25487099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53960708" y3="-0.92418521" z3="9.17066859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12438627" y3="-0.63199849" z3="7.4733741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11473356" y3="-2.51446345" z3="7.81523546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09625728" y3="-2.05952164" z3="7.57995025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.7459808" y3="-2.95591477" z3="6.86978896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31929041" y3="-3.62798553" z3="8.84224021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65402708" y3="-3.214347" z3="9.81202518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38433666" y3="-4.1857004" z3="9.02510251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08095046" y3="-4.35419708" z3="8.50403452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46509158" y3="-1.26426599" z3="6.15776328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42353259" y3="0.25518337" z3="7.63179647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73257605" y3="1.10647859" z3="7.63286508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3169688" y3="0.78176474" z3="5.8736641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.5478056" y3="1.49214169" z3="5.53317434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25828752" y3="0.99289835" z3="5.33050446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97387125" y3="-0.23431267" z3="5.61126193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50166505" y3="0.91408346" z3="7.38383119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75967455" y3="1.96089107" z3="7.63074252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35916743" y3="0.28681589" z3="7.69895086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27205105" y3="0.49028492" z3="8.19169609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93791537" y3="-0.49809348" z3="7.82527887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55698962" y3="0.35496486" z3="9.25401398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1172983" y3="1.51543711" z3="8.14994349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17040246" y3="2.51264394" z3="7.41085898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60145586" y3="1.60490922" z3="9.14238662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.781,-1.2685,1.9089;-3.807,-1.6728,1.984;-2.1336,-2.0692,1.5064;-2.8025,-.4478,1.1665;-2.2936,-.7754,3.2694;-1.2512,-.4108,3.1771;-2.2807,-1.612,3.9879;-3.1672,.3325,3.8585;-4.1992,-.0462,3.9567;-3.2029,1.1857,3.1515;-2.693,.824,5.2214;-3.2516,1.7287,5.5423;-1.632,1.1357,5.1656;-2.8613,-.1881,6.359;-2.2799,-.7348,8.7612;-3.2598,-1.2006,8.978;-1.982,-.1989,9.6858;-1.2873,-1.8812,8.5002;-1.6483,-2.4359,7.6148;-1.3112,-2.5849,9.3566;.1464,-1.4127,8.2549;.5396,-.9242,9.1707;.1244,-.632,7.4734;1.1147,-2.5145,7.8152;2.0963,-2.0595,7.58;.746,-2.9559,6.8698;1.3193,-3.628,8.8422;1.654,-3.2143,9.812;.3843,-4.1857,9.0251;2.081,-4.3542,8.504;-3.4651,-1.2643,6.1578;-2.4235,.2552,7.6318;-1.7326,1.1065,7.6329;-6.317,.7818,5.8737;-5.5478,1.4921,5.5332;-7.2583,.9929,5.3305;-5.9739,-.2343,5.6113;-6.5017,.9141,7.3838;-6.7597,1.9609,7.6307;-7.3592,.2868,7.699;-5.2721,.4903,8.1917;-4.9379,-.4981,7.8253;-5.557,.355,9.254;-4.1173,1.5154,8.1499;-4.1704,2.5126,7.4109;-3.6015,1.6049,9.1424;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724503999684</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000637616974 0.000162596501 0.019056616330 0.004925599504</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044070212 0.000016433 0.000176583 0.000214340 0.000569630 0.000635644 0.001473066 0.002328006 0.002650506 0.003486929 0.004538996 0.005063797 0.006131584 0.006567517 0.007312891 0.010376384 0.010919459 0.011330961 0.013800778 0.015750603 0.018876723 0.020927038 0.021473836 0.023537924 0.025561559 0.026226306 0.026905967 0.030423365 0.032442055 0.035822038 0.037501769 0.039544461 0.044256127 0.046623850 0.048106978 0.050339655 0.050866743 0.051872045 0.052979779 0.053410784 0.056105116 0.058243688 0.060285210 0.063166207 0.065252449 0.066381687 0.068985327 0.070027298 0.073153769 0.076857656 0.078843428 0.080190920 0.081540700 0.081933479 0.088962566 0.090779274 0.093881232 0.098591822 0.101049977 0.111367590 0.113208706 0.115492903 0.118718263 0.120383020 0.124551293 0.130162618 0.133323502 0.146032988 0.149562473 0.151773123 0.153639338 0.154606963 0.160264755 0.164294639 0.166040143 0.176661146 0.185257379 0.185326159 0.191602641 0.198126360 0.211367229 0.211993541 0.218571939 0.227318965 0.237519539 0.249988046 0.260102205 0.265084666 0.298853732 0.305985597 0.313972073 0.327340644 0.356078744 0.421033168 0.443086006 0.487259677 0.534472393 0.575209520 0.592379363 0.637533286 0.654371280 0.688319011 0.710959367 0.756971285 0.773944482 0.783551818 0.785539930 0.788377776 0.790543934 0.809492594 0.821659636 0.826107669 0.830464467 0.840093970 0.852654118 0.871043445 0.876367113 0.884590169 0.892550753 0.894529436 0.918559794 0.920353791 0.924036672 0.952332970 0.971839962 0.977425387 0.987257486 0.993546531 1.027542467 1.073793081 1.384091558 1.486235789</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">184</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.774458" y3="-1.27822396" z3="1.91712854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.79959929" y3="-1.68410044" z3="1.99409915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.12537568" y3="-2.079867" z3="1.51859463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.79703288" y3="-0.46123753" z3="1.17099967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.28874645" y3="-0.7777947" z3="3.27532129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.24724012" y3="-0.41115448" z3="3.18163335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27415358" y3="-1.61139128" z3="3.99711773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16514426" y3="0.33055431" z3="3.8598663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19686175" y3="-0.0493393" z3="3.9568089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20015605" y3="1.18228255" z3="3.15090929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69474803" y3="0.82480388" z3="5.22293946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.2552415" y3="1.72900249" z3="5.54168468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63410821" y3="1.13787553" z3="5.16922677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86429144" y3="-0.18688466" z3="6.36066155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28184661" y3="-0.73637251" z3="8.76144254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26145983" y3="-1.20359654" z3="8.97657487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98487129" y3="-0.20149347" z3="9.68725528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28745155" y3="-1.88091529" z3="8.49901981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64737467" y3="-2.43391528" z3="7.61208259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31099504" y3="-2.58696649" z3="9.35332765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14550791" y3="-1.41043478" z3="8.25655305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53889878" y3="-0.92803163" z3="9.1752203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12264373" y3="-0.62471318" z3="7.48050658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11427314" y3="-2.50940515" z3="7.80887399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.09526194" y3="-2.05245287" z3="7.57699062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.74586031" y3="-2.94433613" z3="6.86056547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31956615" y3="-3.6294899" z3="8.82876913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65488753" y3="-3.22233996" z3="9.80102222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38524347" y3="-4.18865722" z3="9.00831985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08105006" y3="-4.35318649" z3="8.48497791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46931057" y3="-1.26232322" z3="6.15915532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.4254633" y3="0.25486076" z3="7.63318784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73433938" y3="1.1060614" z3="7.63482299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.3165842" y3="0.78549056" z3="5.87311173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54515467" y3="1.49359609" z3="5.53335366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25643484" y3="0.99843246" z3="5.32836158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97457978" y3="-0.2312528" z3="5.61145901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50382189" y3="0.91875919" z3="7.38290401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76014336" y3="1.96566047" z3="7.62879599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36266071" y3="0.29315325" z3="7.69765167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27622575" y3="0.49293987" z3="8.19305005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94244965" y3="-0.49600761" z3="7.8281445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.56408491" y3="0.35916058" z3="9.25471066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1197228" y3="1.51605754" z3="8.15213797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17157791" y3="2.51408703" z3="7.41402839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60345189" y3="1.60356214" z3="9.1445197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7745,-1.2782,1.9171;-3.7996,-1.6841,1.9941;-2.1254,-2.0799,1.5186;-2.797,-.4612,1.171;-2.2887,-.7778,3.2753;-1.2472,-.4112,3.1816;-2.2742,-1.6114,3.9971;-3.1651,.3306,3.8599;-4.1969,-.0493,3.9568;-3.2002,1.1823,3.1509;-2.6947,.8248,5.2229;-3.2552,1.729,5.5417;-1.6341,1.1379,5.1692;-2.8643,-.1869,6.3607;-2.2818,-.7364,8.7614;-3.2615,-1.2036,8.9766;-1.9849,-.2015,9.6873;-1.2875,-1.8809,8.499;-1.6474,-2.4339,7.6121;-1.311,-2.587,9.3533;.1455,-1.4104,8.2566;.5389,-.928,9.1752;.1226,-.6247,7.4805;1.1143,-2.5094,7.8089;2.0953,-2.0525,7.577;.7459,-2.9443,6.8606;1.3196,-3.6295,8.8288;1.6549,-3.2223,9.801;.3852,-4.1887,9.0083;2.0811,-4.3532,8.485;-3.4693,-1.2623,6.1592;-2.4255,.2549,7.6332;-1.7343,1.1061,7.6348;-6.3166,.7855,5.8731;-5.5452,1.4936,5.5334;-7.2564,.9984,5.3284;-5.9746,-.2313,5.6115;-6.5038,.9188,7.3829;-6.7601,1.9657,7.6288;-7.3627,.2932,7.6977;-5.2762,.4929,8.1931;-4.9424,-.496,7.8281;-5.5641,.3592,9.2547;-4.1197,1.5161,8.1521;-4.1716,2.5141,7.414;-3.6035,1.6036,9.1445;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724504225663</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000350632232 0.000092494630 0.027398301111 0.007101522067</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.044034395 -0.000023110 0.000146904 0.000242005 0.000564471 0.000646438 0.001456024 0.002352028 0.002664093 0.003486436 0.004525221 0.005043588 0.006136064 0.006555403 0.007318839 0.010409592 0.010938905 0.011342493 0.013799842 0.015758955 0.018893103 0.020922918 0.021464955 0.023545896 0.025558010 0.026225948 0.026901035 0.030422589 0.032440983 0.035820772 0.037503944 0.039544059 0.044255769 0.046623952 0.048106968 0.050341089 0.050863826 0.051868504 0.052980388 0.053410182 0.056164351 0.058250290 0.060287426 0.063174192 0.065264433 0.066383240 0.068987139 0.070024674 0.073145184 0.076863674 0.078852308 0.080193759 0.081551795 0.081942828 0.088963511 0.090794490 0.093880879 0.098586231 0.101050131 0.111368178 0.113210676 0.115486168 0.118719997 0.120395000 0.124562916 0.130161470 0.133323617 0.146039225 0.149562195 0.151782639 0.153639127 0.154597309 0.160264944 0.164292986 0.166055737 0.176661362 0.185257583 0.185334693 0.191604308 0.198148094 0.211385541 0.211994067 0.218580054 0.227316165 0.237532167 0.249974071 0.260096420 0.265077680 0.298848861 0.305987003 0.313977271 0.327346682 0.356082985 0.421034596 0.443108540 0.487258280 0.534473108 0.575218491 0.592379491 0.637532119 0.654372043 0.688314918 0.710963439 0.756972183 0.773973414 0.783563464 0.785543145 0.788377677 0.790547166 0.809492835 0.821660978 0.826123811 0.830471210 0.840111641 0.852654218 0.871023713 0.876371383 0.884592873 0.892550050 0.894533896 0.918561879 0.920354762 0.924040264 0.952334182 0.971845384 0.977433059 0.987262165 0.993540433 1.027540413 1.073785541 1.384116039 1.486237933</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">185</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79196976" y3="-1.26975909" z3="1.9095436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81686836" y3="-1.67496603" z3="1.99273742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14636458" y3="-2.07100864" z3="1.50479607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81916793" y3="-0.45115772" z3="1.16536142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29663237" y3="-0.77263421" z3="3.2654918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25512191" y3="-0.40753261" z3="3.16588855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27902669" y3="-1.60750708" z3="3.98573261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16767474" y3="0.3361048" z3="3.85709263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19983356" y3="-0.04163917" z3="3.95721812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20379873" y3="1.18980285" z3="3.15057238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69084145" y3="0.82595791" z3="5.21955057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24777521" y3="1.73119751" z3="5.54153374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62936372" y3="1.13581706" z3="5.16281273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85972828" y3="-0.18726502" z3="6.35614417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27946425" y3="-0.73810365" z3="8.75735061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25960717" y3="-1.20503601" z3="8.97071567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98404842" y3="-0.20351094" z3="9.68378387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28509866" y3="-1.88290913" z3="8.4970048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64209218" y3="-2.43461042" z3="7.60809059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3124584" y3="-2.58986377" z3="9.3504619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14897218" y3="-1.4127242" z3="8.26091174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53669442" y3="-0.92707111" z3="9.18028469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13024136" y3="-0.62945765" z3="7.48226096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12089203" y3="-2.51274151" z3="7.82301833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10310817" y3="-2.05619613" z3="7.59547355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75856662" y3="-2.95140349" z3="6.87409681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32046787" y3="-3.6289286" z3="8.84823908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.64883578" y3="-3.21782512" z3="9.82116057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38546884" y3="-4.18823666" z3="9.02371088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08495219" y3="-4.35315552" z3="8.51237621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46439856" y3="-1.26278876" z3="6.15348635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42099322" y3="0.25328783" z3="7.62905045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73051003" y3="1.10500361" z3="7.63198512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31668644" y3="0.78357553" z3="5.87255202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54603186" y3="1.49253519" z3="5.53279976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.257444" y3="0.9967677" z3="5.32952959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9745105" y3="-0.23267942" z3="5.60899502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50169976" y3="0.91432065" z3="7.38285074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75907659" y3="1.96044787" z3="7.6306084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.35914416" y3="0.28706779" z3="7.69812515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27201238" y3="0.48885687" z3="8.18986806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93730738" y3="-0.4987783" z3="7.82204678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55750537" y3="0.35214275" z3="9.25171993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11735063" y3="1.51382417" z3="8.14901102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17040906" y3="2.51172416" z3="7.41098949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60015194" y3="1.60151192" z3="9.14085428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.792,-1.2698,1.9095;-3.8169,-1.675,1.9927;-2.1464,-2.071,1.5048;-2.8192,-.4512,1.1654;-2.2966,-.7726,3.2655;-1.2551,-.4075,3.1659;-2.279,-1.6075,3.9857;-3.1677,.3361,3.8571;-4.1998,-.0416,3.9572;-3.2038,1.1898,3.1506;-2.6908,.826,5.2196;-3.2478,1.7312,5.5415;-1.6294,1.1358,5.1628;-2.8597,-.1873,6.3561;-2.2795,-.7381,8.7574;-3.2596,-1.205,8.9707;-1.984,-.2035,9.6838;-1.2851,-1.8829,8.497;-1.6421,-2.4346,7.6081;-1.3125,-2.5899,9.3505;.149,-1.4127,8.2609;.5367,-.9271,9.1803;.1302,-.6295,7.4823;1.1209,-2.5127,7.823;2.1031,-2.0562,7.5955;.7586,-2.9514,6.8741;1.3205,-3.6289,8.8482;1.6488,-3.2178,9.8212;.3855,-4.1882,9.0237;2.085,-4.3532,8.5124;-3.4644,-1.2628,6.1535;-2.421,.2533,7.6291;-1.7305,1.105,7.632;-6.3167,.7836,5.8726;-5.546,1.4925,5.5328;-7.2574,.9968,5.3295;-5.9745,-.2327,5.609;-6.5017,.9143,7.3829;-6.7591,1.9604,7.6306;-7.3591,.2871,7.6981;-5.272,.4889,8.1899;-4.9373,-.4988,7.822;-5.5575,.3521,9.2517;-4.1174,1.5138,8.149;-4.1704,2.5117,7.411;-3.6002,1.6015,9.1409;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505137678</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000235405829 0.000068235898 0.023883794070 0.008596278116</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001911592428 0.001274394952</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043494870 -0.000005041 0.000166950 0.000298696 0.000546421 0.000663599 0.001449920 0.002354123 0.002643498 0.003463464 0.004478992 0.005036825 0.006129302 0.006537410 0.007292822 0.010389027 0.010903392 0.011346144 0.013787642 0.015765318 0.018889268 0.020918168 0.021456723 0.023557517 0.025555726 0.026218830 0.026903681 0.030421761 0.032445513 0.035801013 0.037509526 0.039545080 0.044253869 0.046627975 0.048104068 0.050340774 0.050865864 0.051867857 0.052980358 0.053410293 0.056239402 0.058249492 0.060297015 0.063156171 0.065252409 0.066385024 0.068983370 0.070022080 0.073142666 0.076861931 0.078858464 0.080184951 0.081572653 0.081955729 0.088965031 0.090805215 0.093880130 0.098583454 0.101050095 0.111356429 0.113212415 0.115511830 0.118725061 0.120416071 0.124579444 0.130168094 0.133321046 0.146044118 0.149567120 0.151786255 0.153641326 0.154601239 0.160267081 0.164293355 0.166092653 0.176635212 0.185245641 0.185351434 0.191613519 0.198101632 0.211335849 0.211984924 0.218576469 0.227322982 0.237522827 0.249980598 0.260120196 0.265082895 0.298868050 0.305985855 0.314002872 0.327351271 0.356088597 0.421037760 0.443155036 0.487276018 0.534473900 0.575221824 0.592412867 0.637535319 0.654380193 0.688317660 0.710965051 0.756972603 0.774008616 0.783593379 0.785546127 0.788382844 0.790551057 0.809493512 0.821665908 0.826130528 0.830496560 0.840129894 0.852654308 0.871045604 0.876393132 0.884604691 0.892554089 0.894537244 0.918564516 0.920355592 0.924070779 0.952352569 0.971859253 0.977425457 0.987263930 0.993543773 1.027557337 1.073796392 1.384160062 1.486253540</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">186</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.800797" y3="-1.26875896" z3="1.90156765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.82883274" y3="-1.66741681" z3="1.98007506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.15915728" y3="-2.07287465" z3="1.49657804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.8200478" y3="-0.44765154" z3="1.15946161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.30552839" y3="-0.77918661" z3="3.2605867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.26164873" y3="-0.41961531" z3="3.16433003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29394204" y3="-1.61660557" z3="3.9782051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.17136891" y3="0.33222769" z3="3.85447776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20522348" y3="-0.04095317" z3="3.95406467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20388225" y3="1.1872907" z3="3.14956329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69158042" y3="0.81772762" z3="5.21763664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24377036" y3="1.72531629" z3="5.54135908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62858405" y3="1.12266322" z3="5.16066954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86419626" y3="-0.19588328" z3="6.35339618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28522823" y3="-0.75234165" z3="8.7525203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26411157" y3="-1.2257681" z3="8.95627966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.99928158" y3="-0.22046503" z3="9.68335624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28226887" y3="-1.89030314" z3="8.49341495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62930843" y3="-2.43940322" z3="7.59879491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31199581" y3="-2.60203694" z3="9.34287497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.15137829" y3="-1.41041619" z3="8.27064525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.52882839" y3="-0.92687068" z3="9.19545039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13426043" y3="-0.62349368" z3="7.49537975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.13343988" y3="-2.50222186" z3="7.83477999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.11443976" y3="-2.03849858" z3="7.61534602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.7799181" y3="-2.9391071" z3="6.88169917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.33363192" y3="-3.62218436" z3="8.85568714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65697698" y3="-3.21379078" z3="9.83142409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39997434" y3="-4.18595929" z3="9.02534826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.10235251" y3="-4.34211169" z3="8.51988916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47169603" y3="-1.2695552" z3="6.14998447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42492468" y3="0.24265478" z3="7.62729954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73099459" y3="1.0916396" z3="7.6312645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31808256" y3="0.79842028" z3="5.87280584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54251428" y3="1.50414541" z3="5.53712614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25692002" y3="1.02065149" z3="5.33006137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.98397729" y3="-0.21937002" z3="5.60527678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50200247" y3="0.92551749" z3="7.38347327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75423383" y3="1.97274692" z3="7.63401308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36270446" y3="0.301578" z3="7.69584719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27408585" y3="0.49134371" z3="8.18897903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94605909" y3="-0.49718098" z3="7.8180313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55921868" y3="0.35323366" z3="9.2509889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11352036" y3="1.51030864" z3="8.15027476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16056704" y3="2.5101662" z3="7.41469556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59691397" y3="1.59284894" z3="9.14290492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.8008,-1.2688,1.9016;-3.8288,-1.6674,1.9801;-2.1592,-2.0729,1.4966;-2.82,-.4477,1.1595;-2.3055,-.7792,3.2606;-1.2616,-.4196,3.1643;-2.2939,-1.6166,3.9782;-3.1714,.3322,3.8545;-4.2052,-.041,3.9541;-3.2039,1.1873,3.1496;-2.6916,.8177,5.2176;-3.2438,1.7253,5.5414;-1.6286,1.1227,5.1607;-2.8642,-.1959,6.3534;-2.2852,-.7523,8.7525;-3.2641,-1.2258,8.9563;-1.9993,-.2205,9.6834;-1.2823,-1.8903,8.4934;-1.6293,-2.4394,7.5988;-1.312,-2.602,9.3429;.1514,-1.4104,8.2706;.5288,-.9269,9.1955;.1343,-.6235,7.4954;1.1334,-2.5022,7.8348;2.1144,-2.0385,7.6153;.7799,-2.9391,6.8817;1.3336,-3.6222,8.8557;1.657,-3.2138,9.8314;.4,-4.186,9.0253;2.1024,-4.3421,8.5199;-3.4717,-1.2696,6.15;-2.4249,.2427,7.6273;-1.731,1.0916,7.6313;-6.3181,.7984,5.8728;-5.5425,1.5041,5.5371;-7.2569,1.0207,5.3301;-5.984,-.2194,5.6053;-6.502,.9255,7.3835;-6.7542,1.9727,7.634;-7.3627,.3016,7.6958;-5.2741,.4913,8.189;-4.9461,-.4972,7.818;-5.5592,.3532,9.251;-4.1135,1.5103,8.1503;-4.1606,2.5102,7.4147;-3.5969,1.5928,9.1429;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724502361330</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000619519931 0.000159283769 0.026477135492 0.008474525741</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043222214 0.000037249 0.000132542 0.000188303 0.000558437 0.000646091 0.001445792 0.002350723 0.002652413 0.003461514 0.004465649 0.005044060 0.006126060 0.006511428 0.007293334 0.010379522 0.010908987 0.011350965 0.013767777 0.015768770 0.018899608 0.020920559 0.021454233 0.023556607 0.025553862 0.026222110 0.026896090 0.030422328 0.032450273 0.035795093 0.037511663 0.039547410 0.044255159 0.046629380 0.048105973 0.050341150 0.050863994 0.051861575 0.052979967 0.053409652 0.056286724 0.058256848 0.060305377 0.063153348 0.065252364 0.066389433 0.068982748 0.070020285 0.073145133 0.076863572 0.078867986 0.080189537 0.081609852 0.081981926 0.088983355 0.090807028 0.093880045 0.098589804 0.101051488 0.111343498 0.113217044 0.115516998 0.118726730 0.120430222 0.124580090 0.130168900 0.133319725 0.146045243 0.149578508 0.151787859 0.153643137 0.154607788 0.160269973 0.164299087 0.166105010 0.176605407 0.185242095 0.185356935 0.191658339 0.198120424 0.211297642 0.211982748 0.218585240 0.227332751 0.237532676 0.250000852 0.260119210 0.265089528 0.298839817 0.305986408 0.314018441 0.327357903 0.356089739 0.421049440 0.443159919 0.487265865 0.534473852 0.575224765 0.592412520 0.637532811 0.654380156 0.688327063 0.710969867 0.756972489 0.774014538 0.783595798 0.785546258 0.788385300 0.790551878 0.809501661 0.821678264 0.826137601 0.830512445 0.840131219 0.852654623 0.871115208 0.876416998 0.884600292 0.892555494 0.894540667 0.918565873 0.920358380 0.924092616 0.952358318 0.971861554 0.977392454 0.987264476 0.993541144 1.027544620 1.073807313 1.384243807 1.486262630</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">187</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78314973" y3="-1.2734212" z3="1.91054175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.8093762" y3="-1.67660123" z3="1.98742668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13674218" y3="-2.07574131" z3="1.50926376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.80428713" y3="-0.45448612" z3="1.16654574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29468941" y3="-0.77795089" z3="3.26961637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.2520117" y3="-0.41456553" z3="3.1760451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28231798" y3="-1.6132729" z3="3.9894772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16703546" y3="0.33190038" z3="3.85725277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19978221" y3="-0.04498427" z3="3.95463939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20032229" y3="1.18489469" z3="3.14974029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69370862" y3="0.82284213" z3="5.22052506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25149661" y3="1.72811311" z3="5.54106833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63229452" y3="1.13323015" z3="5.16596194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86447204" y3="-0.18963224" z3="6.35737196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28286841" y3="-0.74134743" z3="8.75794935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26245776" y3="-1.20976193" z3="8.97064735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.9884917" y3="-0.20709089" z3="9.68476594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28654664" y3="-1.88451012" z3="8.49693755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64260497" y3="-2.43662321" z3="7.60798628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3123499" y3="-2.59181857" z3="9.3502755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14673962" y3="-1.4115597" z3="8.2603218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53499147" y3="-0.92763418" z3="9.18049411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12579597" y3="-0.6264349" z3="7.48352497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12003438" y3="-2.50838562" z3="7.81828642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10076457" y3="-2.04939598" z3="7.58886889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75608043" y3="-2.94583771" z3="6.86932092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32469387" y3="-3.62630293" z3="8.84070949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65690884" y3="-3.21689933" z3="9.81308025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.39072596" y3="-4.18652016" z3="9.01912518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08836203" y3="-4.34924238" z3="8.50039452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.47037771" y3="-1.26431774" z3="6.15502508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42550416" y3="0.25101224" z3="7.63056389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73293231" y3="1.10101776" z3="7.63265557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31753835" y3="0.78937538" z3="5.87400817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54524517" y3="1.49704948" z3="5.53527491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25763398" y3="1.00530441" z3="5.33065585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97786505" y3="-0.22733921" z3="5.60969606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50287683" y3="0.91973282" z3="7.3844159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75837622" y3="1.9665407" z3="7.6323551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36203792" y3="0.29424937" z3="7.69891716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27431452" y3="0.49158102" z3="8.19164101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.94203112" y3="-0.49691041" z3="7.82389421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55990866" y3="0.35554266" z3="9.25370066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11678037" y3="1.51367257" z3="8.15073065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.16817338" y3="2.51215015" z3="7.41298433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60046477" y3="1.60083528" z3="9.14320484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7831,-1.2734,1.9105;-3.8094,-1.6766,1.9874;-2.1367,-2.0757,1.5093;-2.8043,-.4545,1.1665;-2.2947,-.778,3.2696;-1.252,-.4146,3.176;-2.2823,-1.6133,3.9895;-3.167,.3319,3.8573;-4.1998,-.045,3.9546;-3.2003,1.1849,3.1497;-2.6937,.8228,5.2205;-3.2515,1.7281,5.5411;-1.6323,1.1332,5.166;-2.8645,-.1896,6.3574;-2.2829,-.7413,8.7579;-3.2625,-1.2098,8.9706;-1.9885,-.2071,9.6848;-1.2865,-1.8845,8.4969;-1.6426,-2.4366,7.608;-1.3123,-2.5918,9.3503;.1467,-1.4116,8.2603;.535,-.9276,9.1805;.1258,-.6264,7.4835;1.12,-2.5084,7.8183;2.1008,-2.0494,7.5889;.7561,-2.9458,6.8693;1.3247,-3.6263,8.8407;1.6569,-3.2169,9.8131;.3907,-4.1865,9.0191;2.0884,-4.3492,8.5004;-3.4704,-1.2643,6.155;-2.4255,.251,7.6306;-1.7329,1.101,7.6327;-6.3175,.7894,5.874;-5.5452,1.497,5.5353;-7.2576,1.0053,5.3307;-5.9779,-.2273,5.6097;-6.5029,.9197,7.3844;-6.7584,1.9665,7.6324;-7.362,.2942,7.6989;-5.2743,.4916,8.1916;-4.942,-.4969,7.8239;-5.5599,.3555,9.2537;-4.1168,1.5137,8.1507;-4.1682,2.5122,7.413;-3.6005,1.6008,9.1432;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505228337</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000353459093 0.000082519153 0.006311016722 0.002257312573</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001500000000 0.001000000000</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.043238066 0.000025556 0.000210807 0.000288407 0.000554277 0.000654533 0.001428971 0.002341722 0.002720524 0.003480754 0.004434169 0.005004138 0.006126637 0.006507953 0.007288377 0.010352220 0.010906578 0.011354457 0.013775604 0.015787556 0.018896914 0.020918155 0.021454518 0.023552240 0.025559007 0.026222656 0.026851804 0.030420463 0.032443804 0.035787704 0.037514613 0.039547764 0.044248503 0.046628759 0.048106584 0.050342338 0.050862922 0.051861151 0.052980944 0.053409227 0.056313383 0.058262251 0.060308931 0.063146869 0.065256844 0.066392246 0.068974722 0.070042243 0.073151669 0.076867937 0.078877938 0.080184615 0.081602192 0.081980701 0.088966448 0.090796181 0.093880351 0.098576303 0.101056179 0.111339138 0.113218608 0.115519250 0.118726714 0.120440977 0.124583875 0.130169027 0.133326124 0.146044507 0.149582409 0.151791655 0.153645243 0.154601281 0.160270487 0.164300671 0.166137264 0.176595711 0.185242206 0.185355798 0.191682760 0.198132243 0.211300959 0.211986572 0.218594923 0.227349116 0.237541704 0.249969976 0.260126658 0.265089211 0.298843078 0.305986802 0.314006864 0.327359977 0.356092499 0.421054336 0.443175343 0.487272806 0.534472570 0.575230415 0.592419664 0.637532467 0.654384603 0.688331918 0.710973963 0.756972557 0.774034713 0.783626007 0.785548059 0.788387978 0.790552543 0.809509300 0.821685977 0.826153745 0.830546144 0.840136634 0.852654945 0.871131308 0.876417945 0.884593679 0.892565268 0.894545284 0.918566590 0.920361355 0.924126599 0.952363157 0.971862452 0.977392936 0.987265882 0.993554118 1.027543130 1.073814040 1.384302701 1.486266641</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">188</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78456839" y3="-1.27322535" z3="1.91186682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.80991253" y3="-1.67813843" z3="1.99174375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13776565" y3="-2.07481158" z3="1.50991474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.80898859" y3="-0.45506308" z3="1.16699548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29348778" y3="-0.77550014" z3="3.26919842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25175067" y3="-0.41012355" z3="3.17263662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27772145" y3="-1.61016552" z3="3.9898063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16650795" y3="0.33310421" z3="3.85802289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19857376" y3="-0.04527323" z3="3.95673868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20199971" y3="1.18607779" z3="3.15063527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69210293" y3="0.82458662" z3="5.22075051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.25024882" y3="1.72958654" z3="5.54140935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.6308635" y3="1.13553336" z3="5.16510221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86131697" y3="-0.18788357" z3="6.35797753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28039336" y3="-0.73764992" z3="8.7591526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26033765" y3="-1.2047138" z3="8.97336604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98444009" y3="-0.20307683" z3="9.68526885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28606551" y3="-1.88235105" z3="8.49769816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64389776" y3="-2.43387923" z3="7.60906609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31233892" y3="-2.58942242" z3="9.35114369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14777528" y3="-1.41160129" z3="8.25978288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53725253" y3="-0.92759515" z3="9.17939197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12761308" y3="-0.62691102" z3="7.48248014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11894406" y3="-2.51045158" z3="7.81799233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10089578" y3="-2.05352701" z3="7.58944407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75474041" y3="-2.94699383" z3="6.86872931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32016204" y3="-3.62916637" z3="8.84007474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65136119" y3="-3.22040195" z3="9.81306594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.3849828" y3="-4.18797362" z3="9.01674117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08324052" y3="-4.3533184" z3="8.50092863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46592789" y3="-1.2635797" z3="6.15586873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42270881" y3="0.25351432" z3="7.63071878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73222394" y3="1.10520366" z3="7.63315602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31806776" y3="0.78566666" z3="5.87328835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54752784" y3="1.49494877" z3="5.53391544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25888376" y3="0.99899339" z3="5.33024867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.9761044" y3="-0.2306191" z3="5.60948899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50298268" y3="0.91624428" z3="7.38365866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76039091" y3="1.96257689" z3="7.63142646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36075974" y3="0.28921187" z3="7.69841229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.2734118" y3="0.49058975" z3="8.1907792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93922627" y3="-0.4973835" z3="7.82330924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55881592" y3="0.3544885" z3="9.25277677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.1184536" y3="1.51522845" z3="8.15000469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17061594" y3="2.51281821" z3="7.41165931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60155323" y3="1.60288315" z3="9.14205149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7846,-1.2732,1.9119;-3.8099,-1.6781,1.9917;-2.1378,-2.0748,1.5099;-2.809,-.4551,1.167;-2.2935,-.7755,3.2692;-1.2518,-.4101,3.1726;-2.2777,-1.6102,3.9898;-3.1665,.3331,3.858;-4.1986,-.0453,3.9567;-3.202,1.1861,3.1506;-2.6921,.8246,5.2208;-3.2502,1.7296,5.5414;-1.6309,1.1355,5.1651;-2.8613,-.1879,6.358;-2.2804,-.7376,8.7592;-3.2603,-1.2047,8.9734;-1.9844,-.2031,9.6853;-1.2861,-1.8824,8.4977;-1.6439,-2.4339,7.6091;-1.3123,-2.5894,9.3511;.1478,-1.4116,8.2598;.5373,-.9276,9.1794;.1276,-.6269,7.4825;1.1189,-2.5105,7.818;2.1009,-2.0535,7.5894;.7547,-2.947,6.8687;1.3202,-3.6292,8.8401;1.6514,-3.2204,9.8131;.385,-4.188,9.0167;2.0832,-4.3533,8.5009;-3.4659,-1.2636,6.1559;-2.4227,.2535,7.6307;-1.7322,1.1052,7.6332;-6.3181,.7857,5.8733;-5.5475,1.4949,5.5339;-7.2589,.999,5.3302;-5.9761,-.2306,5.6095;-6.503,.9162,7.3837;-6.7604,1.9626,7.6314;-7.3608,.2892,7.6984;-5.2734,.4906,8.1908;-4.9392,-.4974,7.8233;-5.5588,.3545,9.2528;-4.1185,1.5152,8.15;-4.1706,2.5128,7.4117;-3.6016,1.6029,9.1421;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505655046</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000145643668 0.000040124614 0.009731436511 0.003214977694</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003089732675 0.002059821783</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.042592096 -0.000016823 0.000249530 0.000255954 0.000530060 0.000638213 0.001387951 0.002326778 0.002652200 0.003418750 0.004384415 0.004913485 0.006131027 0.006497067 0.007279340 0.010334014 0.010903340 0.011359799 0.013764898 0.015784967 0.018899823 0.020917853 0.021447080 0.023528387 0.025550207 0.026152606 0.026807590 0.030419094 0.032439752 0.035781561 0.037519509 0.039547626 0.044242999 0.046628095 0.048104136 0.050344662 0.050862074 0.051859424 0.052981519 0.053407605 0.056363709 0.058270987 0.060316243 0.063148934 0.065260466 0.066393019 0.068967485 0.070052736 0.073157720 0.076868704 0.078888048 0.080181872 0.081607228 0.081990553 0.088954824 0.090786810 0.093880573 0.098567317 0.101055447 0.111332333 0.113220618 0.115524710 0.118728295 0.120456049 0.124592059 0.130166136 0.133333871 0.146046546 0.149594369 0.151797007 0.153648019 0.154600232 0.160266545 0.164302951 0.166156934 0.176582609 0.185244041 0.185355069 0.191673797 0.198120431 0.211262101 0.211984659 0.218605019 0.227350947 0.237553384 0.249950571 0.260131634 0.265083819 0.298816679 0.305984650 0.314000131 0.327363125 0.356093712 0.421062020 0.443197154 0.487281671 0.534471654 0.575235057 0.592427661 0.637530550 0.654388277 0.688337412 0.710977385 0.756973269 0.774043955 0.783644974 0.785549344 0.788382119 0.790554704 0.809515293 0.821689876 0.826158401 0.830579259 0.840145895 0.852655341 0.871120431 0.876407895 0.884565353 0.892570010 0.894549195 0.918566948 0.920363751 0.924155666 0.952370854 0.971863843 0.977383488 0.987261935 0.993539640 1.027546037 1.073827985 1.384337908 1.486268830</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">189</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.79116414" y3="-1.27100821" z3="1.90855306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81704358" y3="-1.67435854" z3="1.9895274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14619868" y3="-2.07328705" z3="1.50505048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81533063" y3="-0.4522092" z3="1.16436293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29741403" y3="-0.77517618" z3="3.26562953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25528376" y3="-0.41121048" z3="3.16789622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28186226" y3="-1.61048449" z3="3.98550311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16805786" y3="0.33414871" z3="3.85660167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.20058931" y3="-0.04276367" z3="3.9559832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20302237" y3="1.18790612" z3="3.15013292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69158257" y3="0.82357273" z3="5.21936718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24801702" y3="1.72918136" z3="5.54123928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62988197" y3="1.13284612" z3="5.16305186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86139488" y3="-0.18961577" z3="6.35590316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28110672" y3="-0.74174173" z3="8.75650489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26097807" y3="-1.21011691" z3="8.96796397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98765214" y3="-0.20797933" z3="9.68388883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28485794" y3="-1.8849706" z3="8.49587213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63964565" y3="-2.43544615" z3="7.60534411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31272717" y3="-2.59348696" z3="9.34807634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14913573" y3="-1.41216931" z3="8.26287271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53469613" y3="-0.92772267" z3="9.1838965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13050032" y3="-0.62735553" z3="7.4856475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12357053" y3="-2.50943471" z3="7.82440816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10534989" y3="-2.05081887" z3="7.59844217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.76289779" y3="-2.94711023" z3="6.87430138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32398059" y3="-3.62730897" z3="8.84759055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65232309" y3="-3.21753346" z3="9.82112379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38920576" y3="-4.18739611" z3="9.02240241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08892601" y3="-4.35052761" z3="8.51066007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46683168" y3="-1.26471657" z3="6.15313133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42229737" y3="0.25048226" z3="7.62893219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73115082" y3="1.10162965" z3="7.63210961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31844518" y3="0.78875494" z3="5.87321116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54696144" y3="1.49735635" z3="5.53452325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.25909629" y3="1.00418355" z3="5.33072347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97818586" y3="-0.22775046" z3="5.60805554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50256364" y3="0.9177898" z3="7.38378247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.75896174" y3="1.96410754" z3="7.63271958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36076704" y3="0.29119327" z3="7.6982577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27288907" y3="0.49009789" z3="8.18966102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93983272" y3="-0.49772565" z3="7.82075369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55767332" y3="0.35295807" z3="9.25168818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11703782" y3="1.51372595" z3="8.1494131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.168251" y3="2.51181313" z3="7.41173854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.59979893" y3="1.60013422" z3="9.14138988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7912,-1.271,1.9086;-3.817,-1.6744,1.9895;-2.1462,-2.0733,1.5051;-2.8153,-.4522,1.1644;-2.2974,-.7752,3.2656;-1.2553,-.4112,3.1679;-2.2819,-1.6105,3.9855;-3.1681,.3341,3.8566;-4.2006,-.0428,3.956;-3.203,1.1879,3.1501;-2.6916,.8236,5.2194;-3.248,1.7292,5.5412;-1.6299,1.1328,5.1631;-2.8614,-.1896,6.3559;-2.2811,-.7417,8.7565;-3.261,-1.2101,8.968;-1.9877,-.208,9.6839;-1.2849,-1.885,8.4959;-1.6396,-2.4354,7.6053;-1.3127,-2.5935,9.3481;.1491,-1.4122,8.2629;.5347,-.9277,9.1839;.1305,-.6274,7.4856;1.1236,-2.5094,7.8244;2.1053,-2.0508,7.5984;.7629,-2.9471,6.8743;1.324,-3.6273,8.8476;1.6523,-3.2175,9.8211;.3892,-4.1874,9.0224;2.0889,-4.3505,8.5107;-3.4668,-1.2647,6.1531;-2.4223,.2505,7.6289;-1.7312,1.1016,7.6321;-6.3184,.7888,5.8732;-5.547,1.4974,5.5345;-7.2591,1.0042,5.3307;-5.9782,-.2278,5.6081;-6.5026,.9178,7.3838;-6.759,1.9641,7.6327;-7.3608,.2912,7.6983;-5.2729,.4901,8.1897;-4.9398,-.4977,7.8208;-5.5577,.353,9.2517;-4.117,1.5137,8.1494;-4.1683,2.5118,7.4117;-3.5998,1.6001,9.1414;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505637447</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000153936883 0.000044790259 0.004651770554 0.001639286866</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002923276036 0.001948850691</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.042129347 0.000069338 0.000201736 0.000324457 0.000495042 0.000616792 0.001369381 0.002279649 0.002596078 0.003379311 0.004307180 0.004815467 0.006128947 0.006479760 0.007265959 0.010262268 0.010898587 0.011343097 0.013745976 0.015775183 0.018890743 0.020916985 0.021445431 0.023496585 0.025547689 0.026083825 0.026746294 0.030415981 0.032420695 0.035755633 0.037522565 0.039546666 0.044229399 0.046626466 0.048097794 0.050343916 0.050864761 0.051863011 0.052982336 0.053405696 0.056365681 0.058272012 0.060324901 0.063151209 0.065261803 0.066392625 0.068954021 0.070071916 0.073163520 0.076867744 0.078894753 0.080178990 0.081588001 0.081982699 0.088924361 0.090749019 0.093880336 0.098555512 0.101055852 0.111333218 0.113221307 0.115514186 0.118728030 0.120467274 0.124591007 0.130164498 0.133341383 0.146050734 0.149594220 0.151799914 0.153647381 0.154595197 0.160265911 0.164303312 0.166193027 0.176544935 0.185248546 0.185348347 0.191657848 0.198074133 0.211237919 0.211982827 0.218600239 0.227356545 0.237555921 0.249926599 0.260141126 0.265080762 0.298777675 0.305981738 0.313968762 0.327367256 0.356092002 0.421058236 0.443208888 0.487292035 0.534469234 0.575235745 0.592432837 0.637530550 0.654392937 0.688336134 0.710980328 0.756973782 0.774048697 0.783659424 0.785550491 0.788381891 0.790555615 0.809517011 0.821686300 0.826161042 0.830604634 0.840150606 0.852655023 0.871103613 0.876391371 0.884492594 0.892572258 0.894548347 0.918566686 0.920364328 0.924181638 0.952355073 0.971868887 0.977369196 0.987250756 0.993552752 1.027551034 1.073814745 1.384351503 1.486269616</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">190</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78832765" y3="-1.27187879" z3="1.91009407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81380655" y3="-1.67620356" z3="1.99098169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14251606" y3="-2.07367504" z3="1.50698811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81316422" y3="-0.45338006" z3="1.16564703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29540462" y3="-0.77506973" z3="3.26710857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25353202" y3="-0.41032225" z3="3.1695566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27941241" y3="-1.61004042" z3="3.98734627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.1671247" y3="0.33386964" z3="3.85726467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19937199" y3="-0.04384426" z3="3.95658256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20256256" y3="1.18721537" z3="3.15030792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.6914707" y3="0.82440866" z3="5.219915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24879931" y3="1.72970265" z3="5.54110911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63001819" y3="1.13454872" z3="5.16376052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86082334" y3="-0.18842887" z3="6.35684801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.28038557" y3="-0.73929881" z3="8.75781259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.26042011" y3="-1.20672272" z3="8.97071396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98552747" y3="-0.20497428" z3="9.68445376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28540878" y3="-1.8835655" z3="8.49702051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64182701" y3="-2.43452027" z3="7.60746978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.3127496" y3="-2.5913303" z3="9.34985732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14853609" y3="-1.4120712" z3="8.26172239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53609082" y3="-0.92808601" z3="9.1821185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12925781" y3="-0.62718272" z3="7.48462573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12114506" y3="-2.51025383" z3="7.82147692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10306275" y3="-2.05262661" z3="7.59429507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75866583" y3="-2.94718637" z3="6.87173245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32175668" y3="-3.62862535" z3="8.84410011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65154192" y3="-3.21950501" z3="9.81741293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38669848" y3="-4.18791199" z3="9.01976976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08567288" y3="-4.35239258" z3="8.5060083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46589274" y3="-1.26384438" z3="6.15437311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42175062" y3="0.25217491" z3="7.62961344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73128889" y3="1.10387105" z3="7.63257012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31850713" y3="0.78674549" z3="5.87327125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54775442" y3="1.4958061" z3="5.5339051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.2594032" y3="1.00073026" z3="5.330694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97694949" y3="-0.22951679" z3="5.60883113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50289989" y3="0.91646669" z3="7.38377017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76001468" y3="1.96261691" z3="7.63219247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36064531" y3="0.28940618" z3="7.69874541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27301349" y3="0.49019743" z3="8.19003538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93890106" y3="-0.49758374" z3="7.82185165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55793101" y3="0.35360823" z3="9.25204271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11808554" y3="1.51476464" z3="8.14944619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17002153" y3="2.51238362" z3="7.41120178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60068528" y3="1.60198111" z3="9.14124412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7883,-1.2719,1.9101;-3.8138,-1.6762,1.991;-2.1425,-2.0737,1.507;-2.8132,-.4534,1.1656;-2.2954,-.7751,3.2671;-1.2535,-.4103,3.1696;-2.2794,-1.61,3.9873;-3.1671,.3339,3.8573;-4.1994,-.0438,3.9566;-3.2026,1.1872,3.1503;-2.6915,.8244,5.2199;-3.2488,1.7297,5.5411;-1.63,1.1345,5.1638;-2.8608,-.1884,6.3568;-2.2804,-.7393,8.7578;-3.2604,-1.2067,8.9707;-1.9855,-.205,9.6845;-1.2854,-1.8836,8.497;-1.6418,-2.4345,7.6075;-1.3127,-2.5913,9.3499;.1485,-1.4121,8.2617;.5361,-.9281,9.1821;.1293,-.6272,7.4846;1.1211,-2.5103,7.8215;2.1031,-2.0526,7.5943;.7587,-2.9472,6.8717;1.3218,-3.6286,8.8441;1.6515,-3.2195,9.8174;.3867,-4.1879,9.0198;2.0857,-4.3524,8.506;-3.4659,-1.2638,6.1544;-2.4218,.2522,7.6296;-1.7313,1.1039,7.6326;-6.3185,.7867,5.8733;-5.5478,1.4958,5.5339;-7.2594,1.0007,5.3307;-5.9769,-.2295,5.6088;-6.5029,.9165,7.3838;-6.76,1.9626,7.6322;-7.3606,.2894,7.6987;-5.273,.4902,8.19;-4.9389,-.4976,7.8219;-5.5579,.3536,9.252;-4.1181,1.5148,8.1494;-4.17,2.5124,7.4112;-3.6007,1.602,9.1412;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505751556</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000107488005 0.000022972170 0.004342218385 0.001593148488</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.004186513640 0.002791009093</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.040541768 0.000038035 0.000191406 0.000252481 0.000494109 0.000661094 0.001345330 0.002194722 0.002530501 0.003279267 0.004232926 0.004699734 0.006126603 0.006448228 0.007254655 0.010222976 0.010890732 0.011325713 0.013741093 0.015759804 0.018890650 0.020915180 0.021424286 0.023468584 0.025540399 0.025894515 0.026697291 0.030415014 0.032374279 0.035740601 0.037525816 0.039547101 0.044221908 0.046625777 0.048090745 0.050344339 0.050864067 0.051857313 0.052983693 0.053403017 0.056412499 0.058281888 0.060332040 0.063145197 0.065260621 0.066394964 0.068949105 0.070082057 0.073164053 0.076865320 0.078898619 0.080164254 0.081564807 0.081972332 0.088908683 0.090731667 0.093880208 0.098543810 0.101047828 0.111298514 0.113224116 0.115476701 0.118729394 0.120488718 0.124594966 0.130152717 0.133342954 0.146050733 0.149597626 0.151803871 0.153643003 0.154580753 0.160263898 0.164304646 0.166217038 0.176488582 0.185247747 0.185330497 0.191581117 0.197946929 0.211099526 0.211980114 0.218611219 0.227351986 0.237565821 0.249908013 0.260132188 0.265072364 0.298644342 0.305981168 0.313956034 0.327368516 0.356094173 0.421061262 0.443207746 0.487298749 0.534469136 0.575238667 0.592426487 0.637526833 0.654395588 0.688339707 0.710982758 0.756974073 0.774055997 0.783674671 0.785551459 0.788370725 0.790556211 0.809521309 0.821688990 0.826165993 0.830630040 0.840156823 0.852655260 0.871076108 0.876349692 0.884389953 0.892575297 0.894549418 0.918564842 0.920366424 0.924206257 0.952355452 0.971868526 0.977305773 0.987239021 0.993502348 1.027537094 1.073814764 1.384370594 1.486270364</array>
            </module>
            <module cmlx:templateRef="geometry.cycle">
               <scalar cmlx:templateRef="iter" dataType="xsd:integer" dictRef="cc:cycleNumber">191</scalar>
               <module cmlx:templateRef="molecule">
                  <molecule cmlx:templateRef="atom" id="molecule">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78587551" y3="-1.27322287" z3="1.91206141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.810743" y3="-1.67891869" z3="1.99391179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.13910341" y3="-2.07453955" z3="1.5094878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.8122217" y3="-0.45553598" z3="1.16675497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.29306954" y3="-0.77431691" z3="3.26833163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25185408" y3="-0.40795266" z3="3.1699012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2753622" y3="-1.60860962" z3="3.98931194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16630306" y3="0.33369867" z3="3.85795402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.1980532" y3="-0.0453434" z3="3.95732865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20279242" y3="1.18674961" z3="3.15070231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69140503" y3="0.82520906" z3="5.22051002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24964314" y3="1.73011794" z3="5.54116676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.63021974" y3="1.13627875" z3="5.16448062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.86014848" y3="-0.18746597" z3="6.35774402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27959486" y3="-0.73716598" z3="8.75905084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25976648" y3="-1.20374238" z3="8.97336032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98341399" y3="-0.2024795" z3="9.68506157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28578926" y3="-1.88231451" z3="8.49785159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6436651" y3="-2.43329161" z3="7.608905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31272974" y3="-2.5896721" z3="9.35103463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.1482662" y3="-1.41202922" z3="8.26068449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53759362" y3="-0.92858483" z3="9.18064514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.12863275" y3="-0.62697048" z3="7.4837533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.11916942" y3="-2.51106" z3="7.81889382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.10138586" y3="-2.05443622" z3="7.59082464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75511722" y3="-2.94718767" z3="6.86937118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.31957436" y3="-3.63010596" z3="8.84079021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.65076357" y3="-3.22172856" z3="9.81395368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38403679" y3="-4.18843787" z3="9.01712017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08235779" y3="-4.35458675" z3="8.50166608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46476288" y3="-1.26326481" z3="6.15545294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42108036" y3="0.25354912" z3="7.63020355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73154995" y3="1.1059835" z3="7.63310475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31889192" y3="0.78531254" z3="5.87314674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.54921986" y3="1.49531026" z3="5.53338961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26018477" y3="0.99760421" z3="5.33059708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97577556" y3="-0.23065449" z3="5.6092287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50339641" y3="0.91535249" z3="7.38360754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76161519" y3="1.96125938" z3="7.63175361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.36052015" y3="0.28758511" z3="7.69866233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27319775" y3="0.49043617" z3="8.19013691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93815342" y3="-0.49727295" z3="7.8225837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55824635" y3="0.35433687" z3="9.25213868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11935949" y3="1.51597949" z3="8.14944792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17151634" y3="2.51305203" z3="7.41077488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60164203" y3="1.60353257" z3="9.1410455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7859,-1.2732,1.9121;-3.8107,-1.6789,1.9939;-2.1391,-2.0745,1.5095;-2.8122,-.4555,1.1668;-2.2931,-.7743,3.2683;-1.2519,-.408,3.1699;-2.2754,-1.6086,3.9893;-3.1663,.3337,3.858;-4.1981,-.0453,3.9573;-3.2028,1.1867,3.1507;-2.6914,.8252,5.2205;-3.2496,1.7301,5.5412;-1.6302,1.1363,5.1645;-2.8601,-.1875,6.3577;-2.2796,-.7372,8.7591;-3.2598,-1.2037,8.9734;-1.9834,-.2025,9.6851;-1.2858,-1.8823,8.4979;-1.6437,-2.4333,7.6089;-1.3127,-2.5897,9.351;.1483,-1.412,8.2607;.5376,-.9286,9.1806;.1286,-.627,7.4838;1.1192,-2.5111,7.8189;2.1014,-2.0544,7.5908;.7551,-2.9472,6.8694;1.3196,-3.6301,8.8408;1.6508,-3.2217,9.814;.384,-4.1884,9.0171;2.0824,-4.3546,8.5017;-3.4648,-1.2633,6.1555;-2.4211,.2535,7.6302;-1.7315,1.106,7.6331;-6.3189,.7853,5.8731;-5.5492,1.4953,5.5334;-7.2602,.9976,5.3306;-5.9758,-.2307,5.6092;-6.5034,.9154,7.3836;-6.7616,1.9613,7.6318;-7.3605,.2876,7.6987;-5.2732,.4904,8.1901;-4.9382,-.4973,7.8226;-5.5582,.3543,9.2521;-4.1194,1.516,8.1494;-4.1715,2.5131,7.4108;-3.6016,1.6035,9.141;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505784109</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000112631927 0.000020815853 0.004507014629 0.001207458433</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003995314753 0.002663543168</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.038709546 0.000048040 0.000207707 0.000242707 0.000468394 0.000664827 0.001294748 0.001951075 0.002436765 0.003145911 0.004122369 0.004645406 0.006125211 0.006451639 0.007217839 0.010194556 0.010882178 0.011276387 0.013739034 0.015673819 0.018818788 0.020914860 0.021349979 0.023393804 0.025432993 0.025598224 0.026660042 0.030412605 0.032280659 0.035727416 0.037529688 0.039546493 0.044220201 0.046619435 0.048068427 0.050343352 0.050863477 0.051852474 0.052985512 0.053395178 0.056457005 0.058289323 0.060333590 0.063147073 0.065260493 0.066395818 0.068943583 0.070093916 0.073148029 0.076863108 0.078903782 0.080139302 0.081503108 0.081947405 0.088899419 0.090726844 0.093880540 0.098535232 0.101009958 0.111236078 0.113225579 0.115464434 0.118732097 0.120500369 0.124598197 0.130132953 0.133345261 0.146044359 0.149598018 0.151799844 0.153634776 0.154548563 0.160243736 0.164304133 0.166216801 0.176421197 0.185248932 0.185301872 0.191406647 0.197727960 0.210864298 0.211976593 0.218622167 0.227334954 0.237575389 0.249874232 0.260079484 0.265057556 0.298389478 0.305979053 0.313965125 0.327366965 0.356095092 0.421069066 0.443178811 0.487303237 0.534468546 0.575240356 0.592424928 0.637524028 0.654395213 0.688339618 0.710976903 0.756974240 0.774055771 0.783686666 0.785551154 0.788367368 0.790557192 0.809524037 0.821689047 0.826168591 0.830644801 0.840154896 0.852655405 0.871048658 0.876285275 0.884191908 0.892576890 0.894548987 0.918558902 0.920368415 0.924229879 0.952338003 0.971864814 0.977198830 0.987219931 0.993341730 1.027471115 1.073799260 1.384395849 1.486269219</array>
            </module>
            <module dictRef="cc:irc" id="irc">
               <module id="irc-center">
                  <molecule cmlx:templateRef="atom" id="irc-center.0">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-2.78837184" y3="-1.27330691" z3="1.91143212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.81274762" y3="-1.6798261" z3="1.99516154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-2.14167174" y3="-2.07414527" z3="1.50786938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-2.81672872" y3="-0.45578825" z3="1.16602352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.293594" y3="-0.77377071" z3="3.2667687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-1.25276131" y3="-0.40676757" z3="3.16653488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27420657" y3="-1.60791955" z3="3.98789105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.16657632" y3="0.33383619" z3="3.85753203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.19812367" y3="-0.04553764" z3="3.95769366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20389131" y3="1.18709324" z3="3.15057574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-2.69074049" y3="0.8249768" z3="5.21991318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-3.24846016" y3="1.73008738" z3="5.54083084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.62941461" y3="1.13552892" z3="5.16340594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-2.85946267" y3="-0.1878948" z3="6.35705183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.27951613" y3="-0.73816784" z3="8.75825026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.25977439" y3="-1.20494596" z3="8.97155764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.98416694" y3="-0.20368911" z3="9.68463963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-1.28523852" y3="-1.88298229" z3="8.4975393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64183114" y3="-2.43318672" z3="7.60759249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-1.31330855" y3="-2.59116282" z3="9.34999916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="0.14899946" y3="-1.4120604" z3="8.26296343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="0.53681157" y3="-0.92960585" z3="9.1840393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.13022775" y3="-0.62608154" z3="7.48694142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="1.12081723" y3="-2.51031704" z3="7.82126837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="2.1031748" y3="-2.05316979" z3="7.59500217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="0.75812722" y3="-2.94552187" z3="6.87082142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="1.32014785" y3="-3.63036537" z3="8.84226833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="1.6505767" y3="-3.2229671" z3="9.81609412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="0.38439227" y3="-4.1887131" z3="9.01724182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="2.08312667" y3="-4.35463633" z3="8.5031079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.46426002" y3="-1.26362496" z3="6.15451155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-2.42012165" y3="0.25263509" z3="7.62945373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-1.73096766" y3="1.10535031" z3="7.63286833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-6.31961746" y3="0.7866844" z3="5.87312936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-5.55009757" y3="1.49692353" z3="5.53352319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-7.26111199" y3="0.99917112" z3="5.33110368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-5.97635679" y3="-0.22911975" z3="5.60854873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-6.50367072" y3="0.91565866" z3="7.38371217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-6.76193403" y3="1.96127686" z3="7.63252772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-7.3605893" y3="0.2875784" z3="7.69883414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-5.27313063" y3="0.49034415" z3="8.18943694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-4.93803337" y3="-0.49717824" z3="7.82130035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-5.55775451" y3="0.35379938" z3="9.25140714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-4.11951677" y3="1.51597517" z3="8.14896857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-4.17134755" y3="2.51293475" z3="7.41026685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-3.60127358" y3="1.60305476" z3="9.14028464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7884,-1.2733,1.9114;-3.8127,-1.6798,1.9952;-2.1417,-2.0741,1.5079;-2.8167,-.4558,1.166;-2.2936,-.7738,3.2668;-1.2528,-.4068,3.1665;-2.2742,-1.6079,3.9879;-3.1666,.3338,3.8575;-4.1981,-.0455,3.9577;-3.2039,1.1871,3.1506;-2.6907,.825,5.2199;-3.2485,1.7301,5.5408;-1.6294,1.1355,5.1634;-2.8595,-.1879,6.3571;-2.2795,-.7382,8.7583;-3.2598,-1.2049,8.9716;-1.9842,-.2037,9.6846;-1.2852,-1.883,8.4975;-1.6418,-2.4332,7.6076;-1.3133,-2.5912,9.35;.149,-1.4121,8.263;.5368,-.9296,9.184;.1302,-.6261,7.4869;1.1208,-2.5103,7.8213;2.1032,-2.0532,7.595;.7581,-2.9455,6.8708;1.3201,-3.6304,8.8423;1.6506,-3.223,9.8161;.3844,-4.1887,9.0172;2.0831,-4.3546,8.5031;-3.4643,-1.2636,6.1545;-2.4201,.2526,7.6295;-1.731,1.1054,7.6329;-6.3196,.7867,5.8731;-5.5501,1.4969,5.5335;-7.2611,.9992,5.3311;-5.9764,-.2291,5.6085;-6.5037,.9157,7.3837;-6.7619,1.9613,7.6325;-7.3606,.2876,7.6988;-5.2731,.4903,8.1894;-4.938,-.4972,7.8213;-5.5578,.3538,9.2514;-4.1195,1.516,8.149;-4.1713,2.5129,7.4103;-3.6013,1.6031,9.1403;</scalar>
</formula>
</molecule>
                  <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" id="irc-center.0" units="nonsi:hartree">-738.724505860400</scalar>
                  <scalar dictRef="cc:ircStep" id="step">0</scalar>
               </module>
               <module cmlx:templateRef="irc-path">
                  <scalar cmlx:templateRef="direction" dataType="xsd:string" dictRef="g:ircDirection">FORWARD</scalar>
               </module>
               <module cmlx:templateRef="irc-path">
                  <scalar cmlx:templateRef="direction" dataType="xsd:string" dictRef="g:ircDirection">BACKWARD</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="x:serial" size="132">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="132">-187.14674457 22.12687525 42.02632872 43.76730621 58.99134943 72.04600811 82.90364171 92.84979322 97.43088391 123.49340399 135.91549995 149.85645706 170.73006916 184.22729335 193.85312083 233.77459768 237.11133696 258.63438049 268.65021424 280.59005882 286.31986637 299.65649286 303.78705905 313.17851473 366.12259671 383.91950136 428.01818860 482.03314590 508.77132489 552.01870669 619.65421999 642.09935427 655.11722377 747.02951306 758.00094875 770.09511617 785.22347311 824.59986328 835.09253606 852.63591951 860.40814038 886.38406296 905.07044576 913.41369191 934.30700958 944.96999826 960.81358275 978.92113276 1007.95495580 1030.50266245 1043.07947029 1052.83683925 1082.76285263 1086.72668285 1089.34652337 1110.03279252 1122.53705912 1131.77904368 1134.29158379 1142.52890895 1152.10812435 1159.31455482 1213.61977559 1236.75055991 1250.17319933 1267.70490875 1282.80664129 1282.96529045 1306.47806781 1309.74204061 1332.55462201 1333.28677403 1336.79600432 1350.88750407 1368.83502509 1376.93745407 1386.81050913 1391.17739002 1392.89606207 1394.83495041 1409.29951642 1416.69194629 1421.32043298 1425.72254980 1426.45335050 1463.31207129 1466.30379991 1472.60209216 1473.80597078 1474.20074920 1479.37548148 1486.02317916 1487.80686465 1488.95105778 1493.39133051 1495.32276215 1499.68919382 1500.14173691 1502.80340250 1513.44543811 1518.65652891 1655.40464150 1691.10228180 2838.51387733 2990.46523603 2995.85464722 3000.45889072 3001.53266162 3008.58571156 3008.63952754 3011.32117008 3015.27967133 3017.16946894 3018.71110814 3022.37014032 3022.88201629 3050.70412769 3054.78311956 3067.06340198 3068.69004197 3078.45058697 3080.83506762 3088.93170735 3092.49295018 3099.55549661 3101.12480260 3103.99139303 3109.42994253 3124.25430668 3124.36652179 3152.72377751 3160.19478158</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="132">7.38451684 3.57534319 2.30646857 3.92086981 3.04258944 2.29985953 3.06115053 3.03947614 2.35249664 3.27694932 2.06071920 2.51434971 4.16127333 2.94593326 3.02013519 1.75979358 1.60816419 1.17599763 2.16576049 2.20161372 2.16493989 1.48663051 2.97687946 2.67515941 3.24155903 2.13509849 2.62447953 3.16758034 2.41759550 2.96317765 2.44910699 2.40650505 2.44500898 1.29547776 1.21352957 1.61102504 1.42893751 1.39989872 1.44342712 1.44827444 2.19006268 1.85777189 1.61588717 1.48373541 1.89223759 2.03676599 1.54346726 2.16452210 1.63665490 1.70806806 1.31957592 2.03621785 2.19438145 1.55377588 1.41670782 2.07767829 1.77103366 2.23248354 1.87371382 1.64522808 1.81040146 1.98783141 1.57251874 1.45940299 1.36889521 1.31413955 1.32027192 1.25288942 1.24126384 1.23404854 1.17150704 1.16273023 1.20238396 1.25029653 1.26291021 1.33497711 1.44445219 1.46261878 1.22874180 1.44556214 1.29386506 1.43127296 1.53272547 1.46852268 1.63136317 1.09517071 1.09926519 1.08677225 1.09540568 1.09875357 1.08088337 1.07520836 1.08756149 1.05162427 1.05766922 1.06164582 1.08905795 1.11811968 1.06180573 2.34341605 1.15034533 5.97612643 9.28637802 1.08601003 1.06496261 1.06569721 1.06988992 1.06551116 1.04477551 1.06409638 1.06769601 1.05677193 1.04759568 1.06794317 1.05504465 1.05502821 1.10091283 1.09872903 1.10067433 1.10298885 1.09407664 1.09951211 1.10215586 1.10077649 1.09427808 1.10391053 1.10256267 1.09918699 1.09884576 1.10305547 1.08917728 1.10172787</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="18216">-0.0160375541 -0.0024917967 0.0096517541 -0.0067936285 -0.0070808744 0.0051315101 -0.0183123760 0.0021859832 0.0165744467 -0.0249671016 -0.0081704330 0.0042992728 -0.0100184605 0.0030698687 0.0147174093 -0.0194040894 0.0093219063 0.0192594611 0.0069310094 0.0216336460 0.0185941808 -0.0006767165 -0.0118990957 0.0117367888 -0.0183864319 -0.0049157256 0.0210849598 0.0081387193 -0.0315669275 0.0291212400 0.0202434935 -0.0146632110 -0.0184885006 0.0795335227 -0.0890890430 0.0031661934 0.0703717619 -0.0433192004 -0.0501232682 -0.0629852343 -0.0130577675 -0.0352245759 -0.1082976027 -0.0754294998 -0.0262381656 -0.0131373300 -0.1013782096 -0.0608920958 -0.0847168022 -0.0658659977 -0.0271755550 -0.1243786248 0.0060792926 0.0499648210 -0.1139981379 0.0115103782 0.0549996214 -0.1119497404 0.0308744326 0.0402077456 -0.0975511708 -0.0022342413 0.0389193881 -0.1049893642 -0.0053957844 0.0358257849 -0.0617252366 0.0170690754 0.0609113099 -0.0792898167 -0.0198352579 0.0169912758 -0.0779963276 -0.0161219917 0.0142507779 -0.0698688051 -0.0193240906 0.0104082280 -0.0745613346 -0.0260308981 0.0233200268 -0.0682554008 -0.0193486839 0.0306745923 -0.0667696842 -0.0337547216 0.0220145791 -0.0800711907 -0.0196781624 0.0238743113 0.0759886399 0.0403635737 0.0173546844 -0.3357068224 -0.2534200528 -0.0675036818 -0.1070810413 -0.0691422656 -0.0824369737 0.0202787237 -0.0293160386 0.0140386657 0.1242956619 0.0270547159 -0.0195825985 -0.0235558887 -0.0878169802 0.1164291453 -0.0902189122 -0.0344904754 -0.1128347421 0.0710081222 -0.0251531239 0.0934352900 0.1862197388 0.0231998495 0.2302390267 -0.0489165668 -0.1153626094 0.1539626525 0.1153861540 0.0310420570 -0.0544142172 -0.0009070650 -0.0656177094 -0.2724095234 0.0376827159 -0.0147049403 0.0396122153 0.3629753270 0.2455262979 -0.0580250543 0.2063436794 0.1506751509 -0.0420241358 0.0235887792 -0.0863655762 -0.0870389312 0.2107460696 -0.0190092300 0.0127877146 0.2349662498 0.0119721603 -0.0109857421 0.2552744153 -0.0538336804 0.0461136581 0.2062612553 0.0090194206 -0.0110939855 0.1295807275 -0.0487566989 0.0304092556 0.1076218656 -0.0806231350 0.0552120363 0.1368612680 -0.0748595474 0.0539698741 0.0687144066 -0.0042614943 -0.0140009194 0.0913257148 0.0240213073 -0.0377267095 0.0608497946 0.0219984158 -0.0375963781 -0.0037633261 -0.0300982595 0.0018908003 -0.0421951550 -0.0048759537 -0.0300468414 -0.0259677850 -0.0607426658 0.0281436270 -0.0002727312 -0.0514524392 0.0237263470 -0.0121458846 -0.0745388651 0.0821223675 -0.0038590862 -0.1452038559 0.1020149196 0.0161069350 -0.0349323778 0.1340751987 -0.0371629246 -0.0571145456 0.0333040913 -0.0674784686 -0.1085726931 -0.0262461773 -0.0132365658 -0.0802203501 0.0777858960 -0.0542457051 0.0580307746 0.0011985269 0.0292992312 0.1122260832 0.0312116231 -0.0857735716 0.0337127975 -0.0098502666 -0.1386285599 0.1431243344 -0.0597981099 -0.1330309843 0.2028459610 -0.0846994553 -0.2296988557 0.1005055807 -0.0661200580 -0.1200239803 0.2081124987 -0.0845771163 -0.0309978302 0.2465565568 -0.0810441426 -0.1358294879 0.1575097987 -0.0646043744 -0.1786857868 0.2719991451 -0.1284611750 0.0283387558 -0.0599969310 0.0215057214 -0.0312851911 -0.0571834401 0.0454225931 -0.0541864967 -0.0439232480 0.0485551956 0.0454126583 0.0208572117 -0.0537489244 0.0160452632 0.0234881991 -0.0504236141 0.0625824077 0.0473484240 -0.0930352909 0.0849995337 -0.0018740911 -0.0312004018 0.0066896069 0.0119371782 -0.0336792624 -0.0256753561 0.0362197125 -0.0444465228 0.0208303910 0.0109657858 -0.0371597006 -0.0103207220 -0.0301063828 0.0035092055 0.0241366527 -0.0606184253 0.0067450240 -0.0379725620 -0.0417686136 0.0229819806 -0.0386643513 -0.0221374643 0.0117090863 -0.0532221675 -0.0060006538 -0.0087272609 -0.0618531925 -0.0353326634 0.0318461754 -0.0467890208 -0.0223293007 -0.0645475759 -0.0530868412 -0.0563009489 -0.0516814341 -0.0653398629 -0.0130702885 -0.0916660999 -0.0483846229 -0.0190733615 -0.0682770098 -0.0134169443 0.0037652445 -0.0420583932 -0.0055106934 0.0364487176 -0.0572339311 -0.0161813621 -0.0015105299 -0.0407963182 0.0102985455 -0.0050015697 -0.0032043916 -0.0066767765 -0.0234370464 0.0139367446 0.0207419397 -0.0033654298 0.0055850751 0.0356154097 0.0081213537 0.0011449960 0.0488596423 0.0082681271 0.0254486927 0.0521219936 0.0252347606 -0.0167594960 0.0222986846 0.0017998578 -0.0034135337 -0.0017039769 -0.0059331724 -0.0282564266 -0.0021605988 0.0541903718 -0.0485648931 -0.0378896088 -0.0392842228 -0.0659541747 0.0253903064 -0.0241296977 0.0240788535 0.0507597288 0.0405375888 0.1059292037 -0.0059009849 0.0152175826 -0.0429170953 0.0601143733 -0.1710925178 0.0570735147 0.1248244714 -0.2406645496 -0.0989342988 0.0716441205 -0.3055019273 0.1722569511 0.0005605385 -0.0608239160 0.1429045174 0.0740999258 -0.2415390458 0.1715268318 -0.0740303108 0.0308726010 0.3690383044 -0.0633308161 0.1630722699 -0.0937952721 0.0027156883 0.0727370678 -0.3346064087 -0.1482252844 0.3705450336 -0.1129764229 -0.0965498086 0.2224354999 -0.0237095952 0.0209370473 0.0046341549 -0.0029218042 0.0137850115 -0.0053507277 -0.0113391341 0.0140813111 -0.0181856802 -0.0118520705 -0.0177747391 0.0229976486 0.0233804079 0.0061835816 0.0205972598 0.0207026461 -0.0243497545 0.0241374177 0.0471681049 -0.0325902362 0.0236732178 0.0079746262 -0.0196988087 0.0234156540 0.0138105243 -0.0123742280 0.0206224518 0.0183007605 -0.0304344399 0.0276742455 0.0152122903 -0.0165659647 0.0239442398 -0.0019338539 -0.0226831832 0.0324231724 0.0005500208 -0.0153854271 0.0282339014 -0.0139944133 -0.0063354262 0.0103068264 -0.0046646381 0.0075426573 0.0172921054 0.0035643297 -0.0112734494 0.0034825437 -0.0132037971 0.1809822475 0.0264628628 0.0021261322 0.1654767749 0.0858070466 -0.0030030465 0.2289587372 -0.0189925140 0.0180137506 0.2147154832 0.0554270776 0.0136198679 0.0988217708 -0.0253219981 -0.0267069186 0.1152453983 -0.0841917272 -0.0208805432 0.0700422573 -0.0485742970 -0.0376965558 0.0386163064 0.0265731254 -0.0486020759 0.0287723245 0.0712487406 -0.0551460232 0.0614477185 0.0503655824 -0.0420897918 -0.0204529652 -0.0103694285 -0.0705242202 -0.0426555742 0.0088631026 -0.0829941356 -0.0158908000 -0.0536277758 -0.0625531698 -0.0455864637 -0.0107710729 -0.0887961061 -0.0008872977 0.0470958776 -0.1381713804 0.0096992243 0.1189352571 -0.1684593451 -0.0134397527 0.0085168296 -0.1965387426 0.0097622744 0.0756318668 -0.0551612400 0.0237072064 0.1070397359 -0.0168696856 0.0404704960 0.1189425097 -0.0690852107 -0.0426214702 0.0155523424 0.0060159094 -0.0710232936 -0.0130817227 -0.0205887682 -0.0756107182 -0.0198677578 0.0014121659 -0.0244077704 0.0340133098 0.1150459963 -0.0901910228 0.0057646218 0.1596306199 0.0040147415 0.0486257729 0.1192719022 0.0411788351 0.0698523489 0.1671397584 0.0246917052 0.0647245092 0.1704605578 0.1069499462 0.0863890743 0.1349919390 0.0427280303 0.0850181442 0.2371386445 -0.0927752094 -0.0175970248 -0.0904484559 -0.0027358734 0.0052585895 -0.1034873661 0.0322453633 0.0054120761 -0.1079036822 -0.0967027700 -0.0397016753 0.1644372265 -0.0608994070 -0.0706513692 0.1692270545 -0.1105419049 -0.0408005616 0.2117603633 -0.1270834063 -0.0124225151 0.1556706897 -0.0855797642 -0.0341374135 0.1033785155 -0.0388818601 -0.0623756433 0.1241171034 -0.1408022610 -0.0065158761 0.1084240000 -0.0670979128 -0.0305883174 0.0067905952 -0.1053777467 -0.0208434107 -0.0228079018 -0.0844235329 -0.0258200167 -0.0182543727 0.0234068004 -0.0504736808 -0.0183423989 0.0712801074 -0.0826217055 0.0399924973 0.0690712461 -0.0324606464 -0.0783932940 0.1165612240 0.1119840012 0.1190657989 0.1395834121 0.2143470792 0.0776039478 0.1701330806 0.0884916196 0.2054532360 0.1167020520 0.0972894379 0.1292975256 0.0207413593 0.0352087036 0.0510604498 -0.0099024756 -0.0598706725 0.1005292753 0.0374127461 0.0573739975 0.0507522049 -0.0430752121 0.0512065232 -0.0712887006 0.0297818760 0.0801541438 -0.1305861981 -0.0958811881 0.0474491358 -0.1183572691 -0.1105624332 0.0295704838 -0.0512226820 -0.1492466392 0.0306429010 -0.1200400036 -0.1703840952 0.0003762642 0.0043750340 -0.0560363773 0.0367941184 -0.0148985373 -0.0182543225 0.0595229089 0.0317277595 -0.0160830809 0.0587872596 0.0319095914 -0.0243401208 0.0597092664 0.0357724577 -0.0129052060 0.0456729658 0.0287577686 -0.0067155560 0.0808287334 0.0771754117 -0.0539432279 0.0591035784 -0.0217866777 0.0464076277 -0.0433936402 0.0204858370 0.0387730065 -0.0869104313 -0.0443448672 0.0946116546 -0.0580134362 0.0782517353 0.0651247968 -0.0673010857 0.0193552402 0.1484368890 -0.1759884881 0.0161975100 0.0742904931 -0.0031049450 0.1294052890 -0.0314597685 -0.0359289829 -0.1180208899 -0.0600386023 -0.1095797698 -0.2446552138 -0.1096711136 0.0983065174 -0.1203957877 -0.0005692094 -0.0704719898 -0.0983815587 -0.0488255990 0.0082781118 -0.0211707687 -0.0254629739 0.0634185025 0.0194608927 -0.0171759236 0.0984754114 0.0196261261 -0.0185648925 -0.1464822758 -0.0780248131 -0.0811612575 -0.1055223361 -0.0821737374 -0.0139977766 -0.2004768641 -0.1354621835 -0.0113968682 -0.1367482704 -0.0623954599 0.0492123026 -0.1383578324 -0.0137396446 0.0531519270 -0.1399038418 -0.0112496824 0.0935931123 -0.1886627764 -0.0078928447 0.0583350638 -0.0606243721 0.0382713055 0.0376677105 -0.0540245761 0.0244495738 0.1169527184 -0.0649702399 0.0848228500 0.0204436753 0.0243142420 0.0451145930 -0.0194117661 0.0382470089 0.0033880758 0.0319719143 0.0540700437 0.1035036030 0.0844701021 -0.1068604658 -0.1797158800 0.3260384661 -0.2560581948 -0.2987095669 0.1098538828 -0.0915351280 -0.0723651247 -0.1264414455 -0.0640479713 -0.4083089808 0.0187771129 0.0009716821 0.1146761754 -0.1696718666 0.1399851792 0.2059327852 0.1846240830 -0.0553063735 0.3026621809 -0.0147599922 0.0010038784 0.0300759624 0.0626185248 -0.0043415099 -0.0205898301 -0.0769828574 -0.0037019765 -0.0256816928 -0.0433797491 -0.0006822465 0.0553955954 -0.0565523135 -0.0088572537 0.0182807681 -0.0704459303 -0.0119052320 0.0802046541 -0.0138237243 0.0233428566 0.0557962898 -0.0061568156 0.0418497070 0.0051322414 -0.0114369574 0.0556067324 0.0032243637 0.0069013681 0.0334929012 -0.0159503113 -0.0157007157 0.0559852448 0.0042239701 -0.0242848322 0.0704162591 0.0306068484 -0.0292420497 0.0711753451 -0.0226676949 0.0098640075 0.0237112723 -0.0021143234 -0.0079893096 0.0083056997 -0.0146765952 0.0342397868 0.0362302400 0.0117446193 0.0333873222 -0.0097150681 -0.0118044291 0.0626504270 -0.0393610308 -0.0161064335 0.0552427138 0.0105718061 0.0080456801 -0.0051351180 -0.0328977576 -0.0412255733 -0.0372398423 -0.0591082772 -0.0677546548 -0.0281740334 0.0068767041 -0.0419028826 0.0202727729 -0.0641963490 -0.0369745103 0.0028421928 0.0541986185 0.0635757187 -0.0125635373 0.0116772469 0.0280478386 -0.0174951667 -0.0180480271 0.0276845111 -0.0808648522 -0.0370383883 0.0475240997 -0.0708798094 -0.0757720555 0.0587355201 -0.1017548236 -0.0822721541 0.0851801890 -0.1325153379 0.0301943762 0.0509977697 0.0023976046 -0.0162023610 -0.0279918003 0.0337938005 -0.0870511207 -0.0534982767 0.0194200567 0.0193332050 -0.0451196120 0.0232859049 0.0533902965 -0.0474310549 -0.0142689768 0.1206489211 -0.0145826799 0.0819495487 0.0826162395 -0.1021527363 0.0146032934 0.0004865254 -0.0402360096 -0.0009252545 -0.0454312484 -0.0284964750 0.0140151215 -0.0104639210 -0.0681274028 -0.0225108305 0.0450374644 0.0635452229 -0.0859569734 0.0887067362 0.0935716215 -0.0417685063 0.0577792858 0.0432516501 0.0276070249 0.0124584198 0.1335453640 0.0166664918 0.0176477334 -0.0333595322 0.0589400770 -0.0200338487 -0.0518192462 -0.0160545144 0.0536117678 -0.0866746627 0.0433256991 -0.0067682870 -0.0260817150 0.0494455438 -0.0337003276 -0.0235715697 0.0312933354 -0.0157646130 -0.0315297127 0.0665290832 0.0129288943 -0.0065887226 0.0695652410 0.0124309640 -0.0024877301 0.0602815999 0.0361893925 -0.0076857185 0.0767363743 0.0041809641 0.0099736013 0.0220186622 -0.0518582165 0.0419254367 0.0183766669 -0.0706271676 0.0498609919 0.0033771643 -0.0402282749 0.0705718812 0.0351795121 -0.0833128414 0.0202442890 0.0452841165 -0.1170483774 -0.0348081680 0.0444807440 -0.1238523611 0.0677873326 0.0157476794 -0.0061895684 0.0048258481 0.0481083117 0.0326131579 0.0451199110 -0.0078148432 -0.0003573923 -0.0222012014 -0.0211544136 0.0272498415 -0.0319539229 -0.0498878350 0.1060891525 -0.0460626245 -0.0588939722 -0.0212106403 -0.0907112265 0.0221424246 0.0251305314 0.0211242304 0.0762563075 0.0819342132 0.0917327876 0.0418440084 -0.0727111406 0.0385242683 -0.0177001896 0.0646396749 -0.0247375825 0.1025858646 0.0071611138 0.0092018894 0.0353879562 -0.0095192986 0.0184333057 0.0006689665 -0.0212906984 0.0221673437 -0.2471942187 -0.1350590542 0.0831978753 -0.2270127747 -0.1944364885 0.0999636744 -0.2936421537 -0.2520332684 0.1545809413 -0.3626817637 0.0016258120 0.0777082589 -0.0460384766 -0.0888375779 -0.0423606445 0.0151144439 -0.2363169305 -0.0982810990 0.0149546152 -0.0408108940 -0.0754570873 0.0026229757 0.0964741189 -0.0498814698 -0.0803755166 0.2324788231 0.0075525938 0.1576715952 0.1511153047 -0.1250426406 -0.0401767335 0.0536743117 -0.0371029548 -0.0369316332 0.0862262939 -0.0521497694 -0.0786409775 0.0280310493 -0.0211958435 -0.0276104993 0.0589466732 0.0480455991 0.1421998545 0.0941841504 -0.0719241327 -0.0197183313 0.1266431423 0.2400853356 -0.1809412337 -0.0360108614 -0.0302903922 -0.0582738614 0.0488118105 0.0586413231 -0.2090551275 0.0246705951 0.1713138885 0.0836614256 0.1272195509 0.1341199411 -0.0697870034 -0.0276934398 -0.1669278106 0.0986393566 -0.0218161834 -0.2815583698 -0.2207738283 -0.0963361544 -0.2656574073 -0.0894179312 -0.0146892139 -0.1164433453 -0.1036918302 -0.0318739836 -0.1704108586 -0.1689585986 0.0062590723 -0.0586873014 0.0211629772 -0.0036787864 -0.0487328349 0.0244391416 -0.0335045362 0.0879514740 0.0471642528 -0.1019673541 0.0984693287 0.0129973002 0.0041470760 0.1572177779 0.0326190904 -0.0643793681 0.0620128969 0.0454202034 -0.0992169863 0.0041938042 0.0351940632 -0.1103209701 0.1090434217 0.0279170591 0.0045637019 0.0384678237 0.0438331768 0.0376277809 0.0805801791 0.0244680282 0.0316099877 0.0148664086 0.0129299537 0.0017095973 -0.0206788718 0.0431193013 0.0261596591 -0.0453376783 -0.0080525908 -0.0122665653 -0.0296342851 -0.0159486315 -0.0142596676 -0.0438088185 -0.0053128001 -0.0100012615 -0.0439234071 -0.0464733477 -0.0247762631 -0.0280144232 -0.0187867925 -0.0190698244 -0.0782816159 0.1228085370 -0.0041801578 -0.0497544687 -0.0080249190 0.0071659890 0.0106366486 -0.0774342052 0.0291475661 0.0190907512 0.0045712248 0.0906169191 0.1027443246 0.0757733604 0.0801912466 0.0949468613 -0.0103584978 0.1162203261 0.1749125905 -0.0295910992 0.0805570948 0.0573673334 -0.0347206217 0.0868984151 0.0634918144 -0.0062807666 0.0924508471 0.0923847859 -0.1031716998 0.1124291080 0.0728277277 -0.0314969781 0.0338470477 -0.0225836390 -0.0273069607 0.0255953960 -0.0285349555 -0.0892197539 0.0374086443 -0.0666710232 0.0325837193 -0.0422696605 -0.0343352172 0.0496772442 -0.1231171068 0.0229341797 0.0671869775 -0.0412840669 -0.1168913065 -0.0180449019 -0.0292147622 0.0109722138 0.2230614333 -0.0998529211 -0.1279960698 -0.0323975797 0.0598442664 0.1959245981 -0.2454841704 -0.1062455535 -0.1496121427 -0.0182073238 0.0384394538 0.1546764196 -0.2102784545 0.1106190186 0.2680177918 0.1663775818 0.0872418061 0.2881080700 -0.0032745427 -0.0464888554 -0.0265057163 0.1338618817 -0.0562489809 -0.1168590870 -0.1280085791 -0.1229994402 -0.0962883342 0.0181061700 -0.0307485080 -0.0195966430 0.0285380566 -0.0470570387 -0.0260915708 0.0113887172 -0.0228927460 -0.0164011312 0.0281957302 -0.0115668876 -0.0287421452 0.0067385480 -0.0207560926 -0.0690283923 -0.0126400262 0.0173420740 -0.0724053763 -0.0098150794 -0.0411412731 -0.0946229477 0.0219341711 -0.0360199587 -0.0620409899 0.0298763635 -0.0276342143 -0.0537718318 0.0209932621 -0.0341402221 -0.0654905336 0.0122494994 -0.0490810645 -0.0487553774 0.0395590993 -0.0529024155 -0.0733967169 -0.0090331827 -0.0925516462 -0.0358659778 -0.0207612751 0.0088996338 -0.0086565003 -0.0895604257 0.0581527039 0.0089799847 -0.0498976908 -0.0248497439 -0.0473828402 0.0672142684 0.0537296399 0.0639264056 0.1374614650 0.1157826410 0.1314086989 0.1220429040 -0.0422367341 0.0657278851 0.0112083733 0.1223040035 0.0527512899 0.0153881893 -0.0035983120 -0.0271726687 0.0394159837 -0.0097718190 -0.0399758664 0.0643907296 -0.0122666981 -0.0430980920 -0.0077142686 -0.0078401471 -0.1084658074 0.0317753215 0.1103148738 -0.1525594199 -0.0122661279 -0.0193886644 -0.1012430601 -0.0160836464 -0.0924461289 -0.1927554007 -0.0434950976 -0.0250610113 0.0533494181 -0.0403994466 0.0689856974 0.1272234608 -0.0723101105 -0.1313985434 0.0986690354 -0.0443115981 -0.0242852118 0.0646815066 -0.0418086869 -0.0528172733 0.0359315007 -0.0472013796 -0.0400105520 0.1116001680 -0.0386193002 0.0430129747 0.0562450076 -0.0114016040 0.1340766240 0.0315037925 -0.0597868314 0.0450664647 0.1070199805 -0.0489313458 0.0926185240 -0.0437270891 0.0670277710 0.0117446749 -0.0983414214 -0.0900926875 0.1619992413 0.0193873867 -0.1717426428 0.0434233078 -0.1251847866 0.0128532019 0.1616547393 0.0491884670 -0.0659106270 0.2441062640 0.0799798904 0.0988263553 0.1865565837 0.1092743221 0.0578738093 0.0999825902 0.0178454253 0.0803797691 0.0910968341 0.0049303855 0.0283745123 0.0622315788 0.0133354090 0.0833535854 0.1012341477 0.0064527700 0.0929334462 0.1289581954 0.0643096200 0.1333748351 0.1112232751 -0.0360059634 0.0227515370 0.0603093878 -0.0162736380 -0.0736679494 -0.0260932545 -0.0270545840 -0.0976561276 -0.0167631786 -0.0175733701 -0.1201432995 -0.0327725734 -0.0142225949 -0.0407872237 -0.1009215057 -0.0422437166 0.0001963387 -0.1112427320 -0.0795259507 -0.0458053991 -0.1470260096 -0.0026884616 -0.0722476847 -0.0818465957 -0.0298644631 -0.0454631367 -0.0698142025 -0.0287203719 -0.1063405868 -0.1125770282 -0.0395459005 -0.1135861153 -0.0272043255 -0.0084841535 -0.1649362262 0.0284623759 -0.0022669106 -0.1503244551 -0.0649950196 -0.0485588773 -0.0491421593 0.0031398365 0.0486629349 0.0174671821 0.0621244033 0.1131529320 -0.0157975929 -0.0920674425 0.0594989563 -0.0997506055 0.0601340413 0.0182920697 0.0202763322 0.0792687352 -0.0123787664 -0.0148538073 0.0407060473 -0.0241521312 -0.0135111601 0.0344391164 -0.0247281317 0.0947790136 -0.0730210275 0.0897550693 -0.0100543067 -0.2029563610 0.1473871329 0.1343797713 -0.0137929654 -0.0015252934 0.1831297214 -0.0170031481 0.2345772953 0.0765705419 -0.0674266813 -0.0541026674 0.0186508142 -0.1419015547 -0.1616701925 0.1521547295 0.0415242526 -0.1124852304 0.0536836562 -0.0914157029 0.0105326825 0.0815238764 -0.1048038924 0.0261274231 0.0552991124 -0.0986597940 0.0321783075 0.0056624619 -0.0677706306 0.0184752787 -0.0169051094 -0.0993692989 0.0056521270 0.0680386041 -0.0077532603 0.0367818499 -0.0358490384 -0.0006658154 0.0107739601 0.0224391936 -0.0362806185 -0.0179880469 -0.0748966491 0.0584140561 0.0534160377 -0.1055200541 -0.0561611648 -0.0161205520 0.0231055022 0.0353236667 0.0297155906 -0.0171710055 0.0714954840 0.0472917243 0.0704845644 0.0698363930 0.0490097059 0.0613686901 -0.0146982367 0.0006456825 0.0884084003 -0.0310016437 -0.0133737112 0.0307991015 -0.0473382771 -0.0078602799 0.0935208167 -0.0009705918 -0.0060302782 0.1105581096 0.0079622271 0.0377338765 0.1316555945 0.0139831282 -0.0404463787 0.0511613472 -0.0145241218 -0.0260931895 0.0363514029 -0.0028431434 -0.0401818252 0.0552859112 0.0127281992 -0.0562717251 0.0444602026 -0.0098464781 -0.0557698486 0.0285487930 0.0331454670 0.0084252181 0.0390231201 -0.0124609151 -0.0650809776 0.1067287093 0.0173315179 0.0968221983 -0.0848763855 0.1328412165 0.0475678892 -0.1897632396 0.1708418235 0.1807586720 -0.1268096888 0.2423588220 -0.0781361695 0.0105510960 0.0140190545 0.0677866191 0.0989889945 -0.1322350918 0.0757563923 0.1154357666 0.1094654686 0.1594134809 -0.1323199967 -0.0635215869 -0.0453007059 -0.3934988332 -0.2688119632 -0.2439462064 -0.1723294829 0.2669093672 -0.1146791255 0.0514988558 -0.2546548903 0.1286032757 0.0468807849 -0.0037706507 -0.0251776051 0.0325904732 -0.0209620989 -0.0354404321 0.0312090552 -0.0331594753 -0.0357196662 -0.0089825636 -0.0221911280 -0.0212351485 0.0234576438 0.0033839897 -0.0339913748 -0.0124236890 -0.0127836537 -0.0016698682 -0.0151894435 -0.0495093700 -0.0525828229 -0.0343380863 -0.0292046655 0.0124248414 -0.0356039897 -0.0025689553 0.0316178223 -0.0477237154 -0.0513998868 0.0240199536 -0.0354898707 -0.0365797657 0.0118139835 -0.0291249429 -0.0422544195 0.0108909420 -0.0373130955 -0.0400209766 0.0213806358 -0.0343698424 -0.0237439978 0.0065265240 -0.0085166548 0.0175958247 0.0025957097 -0.0263045760 -0.0100873160 0.0205221024 0.0120618303 0.0374964247 -0.0119408623 -0.0738420684 0.0491246758 0.0409916262 0.0156321125 0.0031824363 -0.0886370069 0.0928163905 0.0741237004 0.0386618876 0.0180206186 0.0230372150 -0.0461252074 0.0650527050 0.0121576603 -0.0756955151 -0.0268225114 0.0116444784 -0.0776919128 0.0218020102 0.0350546972 0.0036890208 0.0159730205 -0.0040916088 0.0166869678 0.0283829514 0.0620842223 -0.0064065917 0.0197451255 0.0471614014 0.0433924571 0.0136708962 0.0577049202 0.0492651422 0.0134646295 0.0650710907 0.0437767023 0.0310929271 0.0397685249 0.0521782880 -0.0262259391 0.0193761881 -0.0038501467 -0.0444667988 0.0445571554 -0.0040797910 -0.0308168957 0.0040729098 -0.0275493085 -0.0220155997 0.0067532920 -0.0096607731 -0.0164828249 0.0188507602 0.0067794364 -0.0381253702 0.0075754091 -0.0255071104 -0.0061074684 -0.0189273201 -0.0118856601 0.0066371449 -0.0282312750 -0.0353687203 -0.0002619363 -0.0375365903 0.0081416587 -0.0187664267 -0.0033548556 -0.0112932170 -0.0336095741 0.0202367555 -0.0122244958 -0.0316469361 -0.0186578467 -0.0290305683 0.0027023761 0.0019433880 0.0106811466 0.0403429477 0.0353263607 0.0471618859 0.0087135493 -0.0541252426 0.0228191831 -0.0238154697 0.0282474482 -0.0198786714 0.0907112604 0.0873181247 0.0633241103 -0.0099620961 0.0103669184 0.0242855775 -0.0327665823 -0.0375232034 0.0251637564 -0.0450504480 -0.0245891409 -0.1798014293 0.1992133511 0.2171342316 -0.2926304176 -0.1192358525 -0.0913961328 0.0269614345 -0.2068648129 -0.1541687179 -0.4705199495 -0.0712799205 -0.0456249439 0.0948777091 0.0300000761 0.1174332519 0.3068849273 -0.2200261432 -0.2542174224 0.2084221391 -0.0382366253 0.0044692584 -0.0117521863 -0.0836043149 0.0621128846 0.0003818104 -0.0074884090 0.0305099224 -0.0714427399 0.0151414739 -0.0643676114 -0.0203616107 0.0220442032 -0.1509284306 0.0257472839 0.0644953106 -0.0480336077 -0.0954877061 0.0389527240 -0.0363981162 0.0147302047 -0.0651051334 0.0467048394 0.0606526251 0.0876271231 -0.1102984083 -0.0394453687 0.1542347574 0.0185342419 0.0853892385 -0.0314572829 -0.1054054378 -0.0689482862 0.0146668851 -0.1862246416 -0.0771008069 -0.0905535258 -0.1212150644 -0.1079846957 -0.0743859934 -0.0625322090 -0.0777926912 -0.0492851617 -0.0679604713 -0.0919402847 -0.0941016218 -0.0322610990 -0.1139097712 -0.1054067851 -0.0489465698 -0.0142698164 -0.1323806725 -0.0885103078 -0.1279687706 -0.2342702144 -0.0328342213 0.0855443256 0.0753097818 0.0278901590 0.0616704146 -0.0388558162 0.0420949863 -0.1071655459 -0.1020573634 0.1340019799 -0.1063910716 -0.0069772097 -0.0086768326 -0.2091089131 -0.0600681723 0.0727211514 -0.1164269803 -0.0718882781 0.1044096596 -0.0570543031 -0.0665451211 0.1113297436 -0.1600583157 -0.0714635897 -0.0068770696 -0.0829610717 -0.1079328516 -0.0474028216 -0.1218906372 -0.0794776614 -0.0350962398 -0.0696265161 -0.0392139107 -0.0165303362 0.0180165404 -0.0723748237 -0.0838293888 0.0602323020 0.0091512866 0.0225729275 0.0515408026 -0.0192257167 -0.0015697345 0.0330533092 -0.1041088758 -0.0615880809 -0.0178345004 0.0270089901 0.1018331047 -0.0139848432 0.0318553714 -0.0395166777 0.1424568083 0.2864175244 0.1244906928 0.0791324052 0.0133768073 -0.0168393375 0.0162715032 0.0154773636 -0.1049567703 0.0119372443 0.0520880128 -0.0080658856 0.0731813334 -0.0854748361 -0.1015562102 0.1225549083 0.1038528092 0.0467460002 -0.0623009524 0.1598517522 0.0234347972 0.2162882877 0.0363475644 -0.0042655861 -0.0197160647 -0.0316264524 -0.0595898571 -0.1220477104 0.1251566327 0.0776542525 -0.0718819431 0.0130010685 -0.0210289427 0.0667388887 0.0434769923 -0.0310482000 0.0868698227 0.0257574524 -0.0236387606 0.0823185909 -0.0465855777 0.0007350822 0.0758902296 -0.0521254494 0.0480632046 0.0444958547 -0.0552999455 0.0134027323 0.1235100501 -0.0403385616 0.0402860592 0.0019122408 0.0199746519 0.0241809065 -0.0331629773 -0.0916350583 0.1214086974 0.0672521377 -0.1174781345 -0.0495932108 -0.0082692226 0.0379422737 0.0657438304 -0.0140336869 0.0074668788 0.0910609056 -0.0002712084 0.0803606834 0.1166900390 -0.0103225160 0.0752152881 0.0119266867 -0.0439209111 0.1180264924 -0.0170549987 -0.0644206184 0.0297034748 -0.0002992378 -0.0793193454 0.0684225558 0.0261141737 0.0013999126 0.0726322205 0.0691075567 0.0768965746 0.1246251256 0.0492896632 -0.0496797808 -0.0127984161 -0.0548485190 0.0213648021 0.0072924958 0.0109873149 0.0318440777 0.0598194415 -0.0375088553 0.0206866664 0.1197613206 0.0370125550 0.0175279602 -0.0784167020 0.1798309777 0.0382620550 -0.1893501886 0.2577774415 0.2169069807 -0.1206554315 0.3326196221 -0.1486949648 0.0713122373 0.0160124148 0.0010127888 0.0979642300 -0.0608527139 -0.1406923910 0.1729801563 -0.0362792544 0.1408507318 0.0812998019 0.0088087720 -0.0220430762 0.0893781800 0.0137796152 -0.0280492333 0.0797347360 0.0075593000 -0.0230667578 0.0919839580 0.0141491877 -0.0186866695 0.1811036425 0.0785004773 0.0369473820 0.0760142890 -0.0901204811 0.0154120811 0.0343339453 0.0674005652 -0.1004262428 0.0654760266 -0.0437165880 0.0304015160 -0.1166022236 -0.1187675320 0.0217492355 -0.1173619346 -0.1094967360 0.0238435216 0.0275670405 -0.0128575022 0.0577025173 0.0572265676 -0.0811375843 0.0746142597 0.0418245426 0.0713358267 0.0724656410 0.0606824637 -0.0286442988 0.0787563752 -0.0671585717 -0.0266836383 -0.0107804987 -0.0922910080 -0.0156838085 -0.0254539789 -0.0921159827 0.0256189718 -0.0230853410 -0.0847607161 -0.1129421593 -0.0215583633 -0.0454941749 -0.1953688270 -0.0711631980 -0.1675299421 -0.1500744342 0.0430622575 -0.0611881525 -0.0333375438 -0.0214862971 -0.0880430610 0.0072127850 -0.0533034861 -0.1288348819 -0.0836123623 0.0135871069 0.0289799120 -0.0427939023 -0.0274286115 -0.0746090885 -0.0897483984 0.0522697228 0.0661694153 -0.1442425423 -0.1818540363 0.1406827178 0.0966294611 -0.0191992354 -0.0204239234 -0.0317680014 0.0386977866 0.0347912336 -0.0136344295 -0.0052172488 -0.0860273231 -0.1124415988 0.0347968267 -0.0465438852 0.0360757337 0.1394369459 -0.2033257153 0.1333831787 0.2152142824 0.0936559705 0.0390353129 0.2686600916 -0.0403203807 -0.0300161912 -0.0216159239 -0.0307635717 -0.0778706961 -0.0765939948 -0.0401943485 -0.1131542748 0.0017037225 -0.0095726552 0.0594984566 -0.0867603268 0.0144418263 0.0043183937 0.0104258357 0.0968329626 0.0001791122 -0.0333657730 -0.0755898966 0.0017558568 0.0527657605 0.0866760260 -0.0676055959 0.0917384591 0.1607074370 -0.0987566343 0.0038976628 0.1027837321 -0.1411129780 0.1780601046 0.0655935189 0.0188605564 0.0786473627 0.0882165905 0.0697769857 0.1439043963 0.0599220098 0.0647075881 0.0390748785 0.0411847516 0.0213123402 -0.0245139717 0.0770747913 0.0930947226 -0.0696884565 -0.0057571756 -0.0202606804 -0.0633514197 0.0184150552 0.0013185213 -0.0403792599 0.1176575877 0.0717453081 0.0199192582 -0.0355349040 -0.1198480731 0.0147819550 -0.0412383210 0.0455789259 -0.1689970271 0.0832743257 0.1592735650 -0.0616456639 -0.0524046090 0.0274228906 -0.0925928643 -0.0999045505 0.0442304618 -0.0860364249 0.0243668557 -0.0290732664 0.0282241396 -0.0514057724 -0.0626172453 0.0494682210 0.0752028605 0.0628141162 -0.0764793748 0.1390807725 -0.0695412291 0.1140836592 -0.0796962066 -0.0500108794 0.0308897441 -0.0877558983 -0.0044335056 0.0578243151 -0.1277473861 -0.0484004992 0.0432690799 -0.0899558460 -0.1227512259 -0.0051769441 -0.0638062599 -0.2187887702 -0.0848022330 -0.1726900477 -0.1689445886 0.0865498205 -0.0266145261 0.0005340228 -0.0264609411 -0.0216566947 0.0418067035 -0.0410669592 -0.0118563078 0.0266429661 0.0105653461 -0.0269490169 -0.0139833292 0.0047102245 0.0152152535 -0.0334192068 -0.0177623510 -0.0692726560 0.0479480023 0.0459644453 -0.0841637132 -0.0796828467 -0.0032694479 0.0310260810 0.0079191107 -0.0053567339 0.0353761170 0.0230892979 -0.0130649334 0.0306377835 0.0235581278 -0.0159858037 0.0403757267 0.0028320826 0.0045890883 0.0131203348 0.0330729847 0.0143682802 0.0619146493 0.0039141103 0.0241506828 0.0085411011 -0.0202247851 -0.0216613144 -0.0152923193 -0.0147329269 -0.0555748474 -0.0071886051 -0.0574672315 0.0011307559 0.0092453672 -0.0129046434 -0.0175819325 -0.0008397110 0.0205240502 -0.0440206560 0.0182405164 0.1023265803 -0.0820439984 -0.0191430657 -0.0240972669 -0.1103729799 -0.0011530381 0.0545383536 0.0448042214 0.0036571026 0.0917934013 0.0978104807 0.0036051112 0.1024797127 0.0045487944 0.0087818191 -0.0011963443 0.0599935946 0.0300636836 -0.0156573810 0.0215391354 0.0318858488 -0.0161391145 0.0931313989 -0.0149530116 0.0038330404 -0.0043100532 0.0230770424 0.0638137336 -0.0462892235 -0.0543198728 -0.0324681242 -0.0394812572 -0.0503763417 -0.0340267260 -0.0181151093 0.1377004641 0.1102192703 0.1178996522 -0.1466634371 -0.2868095690 0.0904776862 -0.1644917283 0.0483958396 -0.2731706881 0.0278048105 -0.0088776371 -0.0183793855 -0.0078660390 -0.0217033996 -0.0196846449 0.0158827798 -0.0209860019 -0.0227698900 -0.0864094977 0.0150077699 -0.0769033442 -0.4724453524 -0.0137601384 -0.0074146228 0.0207823478 -0.0008084906 -0.4603204381 0.1402809127 0.0580804411 0.2045554803 -0.0052607782 0.0259584448 -0.0492960790 -0.0640088211 -0.0158737970 -0.1318618233 0.1108714347 0.0340063144 -0.0830176051 -0.0152386556 0.0389299533 0.0424078263 -0.0027508020 0.0355032440 0.0531472120 -0.0119865659 0.0441940721 0.0265170767 0.0181708128 -0.0086745066 0.0381698466 0.0666197380 -0.0452678120 0.1027866190 0.0270355355 -0.0278194849 -0.0311848183 -0.0126522993 0.0112611689 -0.0174294168 -0.0501797846 -0.0339656364 0.0187973776 -0.0227824412 -0.0057569329 -0.0873371052 0.0178617288 0.0495100225 -0.0154951925 0.0074694489 0.0346306916 0.0179738815 0.0141554823 0.0621205964 0.0049665464 0.0028402939 0.0214760639 0.0221046047 0.0097498799 0.0402991374 0.0453837114 -0.0521142691 0.0950953278 0.0702847983 0.0609617761 0.0344977617 0.0968464709 -0.0212838015 -0.0064067627 -0.0199540143 -0.0470125116 -0.0064641229 -0.0646004118 -0.0389462432 -0.0634188668 0.0099141152 -0.0127720346 -0.0058392729 -0.0187542569 0.0077403953 -0.0498174159 0.0813972460 0.0141912620 -0.2259236895 0.1382353476 0.0815421846 0.0474704393 0.2077165792 -0.0331150633 -0.0262413306 -0.0447413458 -0.0863079178 -0.0571196003 -0.0606206417 -0.0454282075 -0.0351757540 -0.0498057416 -0.0008270702 0.0042415788 -0.0784391274 -0.0209813885 0.0008688698 -0.0692658204 0.0010379554 0.0095416869 -0.0793658095 0.0356831315 -0.0064468716 0.0010759467 -0.0127115510 -0.0894080143 0.0569289578 0.0905703085 0.0444694275 0.0506779728 0.0866260898 0.0471557925 0.0194898618 -0.1530662554 -0.1381431035 -0.1570969345 0.2170702669 0.3746553364 -0.1237067904 0.2312309324 -0.0542109324 0.3552255159 0.0257347640 -0.0008916353 -0.0155038657 -0.0450197484 -0.0207336361 0.0077287565 -0.0684561021 0.0185657243 0.0119610322 -0.0604984580 0.0059814978 -0.0450798644 -0.3255064398 -0.0095750337 0.0009320845 0.0164947037 0.0045409319 -0.3131761330 0.1028123515 0.0258813583 0.1472359264 -0.0211857866 0.0092415291 -0.0140768501 -0.0417887410 -0.0003110344 -0.0391759028 0.0218773527 0.0008024946 -0.0226785930 -0.0240436453 0.0038937012 0.0135640874 -0.0129713075 -0.0260238918 -0.0072018982 -0.0522947318 -0.0057023351 0.0252811797 0.0203267964 0.0018133050 0.0082039255 0.0313505161 -0.0323371814 0.0423193123 0.0115979224 -0.0233195566 -0.0333402496 -0.0035290455 0.0007821536 -0.0178063044 -0.3980364782 -0.1445630085 0.2771625285 0.0213072538 -0.2301969915 -0.5308462446 0.3709833891 0.3314019880 0.1030237483 -0.0070214075 0.0462023500 0.0852720968 -0.0944924120 0.0971181886 0.1313617911 0.0784780091 0.0556850683 0.1547375607 0.0018930984 -0.0053513476 -0.0206604606 0.1058774657 -0.0105155709 -0.0897407712 -0.0941573232 -0.0612744264 -0.0762038038 0.0058315651 -0.0041255122 -0.0201353485 0.0045933779 -0.0056471697 -0.0249077703 0.0006610472 -0.0077469060 -0.0153502361 0.0096654924 -0.0125460390 -0.0142757963 0.0088164757 -0.0025052501 -0.0001733380 0.0066345251 -0.0131305019 0.0048215003 0.0293893097 0.0050025023 0.0019453472 -0.0114336198 0.0245782385 -0.0032434546 -0.0309291423 0.0367317840 0.0258638667 -0.0122722177 0.0519658101 -0.0300431187 -0.0054645265 -0.0029384204 0.0021543961 -0.0029317848 -0.0161528642 -0.0206786855 0.0004148747 -0.0170646171 0.0183743212 -0.0079071895 -0.0017956548 0.0052366861 -0.0020860885 -0.0018887618 0.0022447878 -0.0093049056 -0.0023511154 0.0053899716 -0.0171807025 -0.0096625975 0.0012330372 0.0201880504 0.0193522670 0.0289781058 -0.0391088826 -0.0613650847 0.0244369011 -0.0395489919 0.0054524377 -0.0529832338 0.0087097890 -0.0339507558 -0.0202381498 0.0097644130 -0.0046030808 0.0008635373 0.0100038987 0.0027304300 0.0009038624 -0.0029877004 0.0020474406 0.0013107415 0.0307039068 0.0050931842 -0.0047243729 -0.0172989301 -0.0111996486 0.0407285954 -0.0346567336 0.0085152395 -0.0268867605 0.0086393716 0.0050373660 -0.0075860978 0.0036010830 -0.0041610656 -0.0189100520 0.0198777182 0.0120858808 -0.0130850068 0.0069712888 0.0076885962 0.0040807512 0.0097777843 0.0126133773 0.0126685351 0.0123010205 0.0107150396 -0.0019819740 -0.0035786123 -0.0032926452 0.0065627440 0.0003032981 0.0002468861 0.0073460748 -0.0034606195 -0.0028060434 0.0064363107 -0.0077379529 -0.0555648041 0.0141196609 0.0834763217 -0.0689918978 -0.0417384580 -0.0351261235 0.0091539319 0.1029807827 -0.1039677300 -0.1275209067 -0.0258033120 0.0160413503 -0.0350146228 0.0200983255 0.0575799867 -0.0285117622 -0.0111845514 -0.0290216476 -0.0647477067 -0.0009320426 0.0079374994 0.0087683849 0.0866340256 -0.1306396222 0.0982932064 0.1517358155 0.1325614716 0.0000872090 0.2083072776 0.0223988788 -0.0365360993 -0.0689934807 0.0327033715 -0.0643534742 -0.0917510820 0.0355524930 -0.0995618893 -0.0626561759 0.0300368137 0.0200868830 -0.1090296698 0.0340279066 -0.0120771095 0.0939845332 0.0382954504 -0.2455177637 0.1719851595 0.1626709877 0.1249540128 0.2597964660 -0.0819919563 0.0927968264 -0.0268074783 -0.1989367380 0.1302004510 0.0945761588 -0.1092685733 0.1973836375 -0.1521173005 -0.0266528389 -0.0257534903 -0.0262293395 -0.0104171641 -0.0935979487 -0.1450855071 0.0044219842 -0.1041530020 0.0631772863 -0.0347022387 -0.0136723939 0.0230637508 -0.0341638300 -0.0416945262 0.0331259918 -0.0256322677 -0.0007350961 0.0401958436 -0.0499232090 -0.0260695350 0.0201553850 0.0164647880 0.0290457317 0.0767626759 -0.0900785792 -0.1267034870 0.0641400789 -0.0897712811 -0.0007114697 -0.0824739721 0.0537790411 0.0068655444 -0.1191614418 0.0184209123 0.0652349258 -0.0184206054 -0.0378735869 0.1428847034 -0.0108252939 0.0002310896 -0.0044157790 0.0027891909 0.2275396065 0.0438072105 -0.0469536572 -0.0873563944 -0.0737344786 0.2536497032 -0.1893469295 0.0092552499 -0.1898190898 0.0423497086 0.0052249696 0.0028769426 0.0560035951 -0.0041342566 0.0076729748 0.0469271755 -0.0055041605 0.0056731166 0.0437699159 0.0402769262 0.0206253190 0.0441451504 0.0705832593 0.0546191086 0.0822155629 0.0549137190 -0.0010980833 -0.0203219290 0.0068431678 0.0322321441 -0.0412159489 -0.0178363300 0.0200852998 0.0244798872 0.0549939227 0.0475175826 -0.0915690781 -0.0483438999 0.0094674653 -0.1318005617 -0.1799781720 0.0698216490 -0.2487915152 0.0866230352 -0.0765592960 -0.1248364599 -0.1563945550 0.0534932929 0.1241654140 0.0434209502 -0.0032127737 0.1324015903 0.1042675396 -0.0276273745 0.1207810855 0.0812962129 -0.0307172445 0.1100686265 0.0596081149 0.0030138708 0.0769873481 0.1597258863 -0.0053164783 0.1462435754 0.1076743763 0.0086475908 -0.1183730161 -0.0518668329 -0.0301649262 -0.2899152408 -0.0208094529 -0.2967724432 -0.3050711660 -0.2407943799 0.1711127788 -0.0043497389 -0.0086492541 0.0283528219 0.0039633296 0.0218602224 -0.0049528626 -0.0374497726 0.0610422201 0.0037464622 -0.0017504783 0.0019482183 -0.0354621321 0.0072386623 -0.0025849550 -0.0211326358 0.0183212873 -0.0020761333 -0.0258733737 0.0009599255 -0.0167151324 -0.0126845683 -0.0116677841 -0.0094029348 -0.0089063444 -0.0127396280 -0.0120541034 -0.0121581975 -0.0267983508 -0.0211185034 -0.0151679641 -0.0194210620 -0.0017393724 0.0074615475 -0.0203171345 -0.0031161791 0.0084446267 -0.0212099671 -0.0026325850 0.0073518037 -0.0274904071 -0.0097886090 0.0074319515 -0.0085241869 0.0078301623 0.0275835620 -0.0443862054 -0.0440702889 0.0238471214 -0.0383307058 -0.0053543256 -0.0305912198 0.0045542526 -0.0351810636 0.0182995437 0.0526966593 0.0308706927 0.0383969181 0.0449595765 0.0039763433 0.0373408736 0.0270016923 -0.0046211774 0.0265915319 -0.1264694380 0.0355255437 0.0344690324 0.0831853305 0.0198042882 -0.1497066589 0.1492562236 -0.0469643650 0.1197582477 -0.0007634535 -0.0186490386 0.1154236043 0.0939130170 0.0477874584 0.2483370491 -0.1322145411 -0.0987513507 0.1793142052 0.0315360711 0.0082305780 -0.0298803882 -0.0202935592 0.0545574106 -0.0352565016 0.0544200808 0.0236240601 -0.0623203629 0.0161282927 0.0088565157 -0.0411773209 -0.0381088011 0.0234912089 -0.1027506297 0.0212736681 0.0358638870 0.0117068523 0.0478994937 0.0294209096 -0.0059366004 0.0743512402 0.1042577009 -0.0426797762 0.1364481226 -0.0448390174 0.0466641764 0.0629869301 0.0883969713 -0.0327079623 -0.0735363279 -0.0225411526 0.0020323186 -0.0777864882 -0.0563080742 0.0153469012 -0.0721224710 -0.0455537647 0.0175707385 -0.0641185230 -0.0326573347 -0.0030374682 -0.0368045005 -0.0919520002 -0.0024548962 -0.0940835679 -0.0571669026 -0.0160655115 0.0582772646 0.0335646482 0.0318839520 0.1324640986 0.0061019263 0.1226033742 0.1087121526 0.1410797085 -0.0380165190 0.0473280041 0.0173738315 0.0256486780 0.0536844865 -0.0009238568 0.0705449854 0.0095659440 -0.1537751480 0.1454635919 0.1477481658 0.0890328251 0.1743011922 -0.0280334075 0.0406818420 -0.0495165276 -0.0984992566 0.0553118313 0.0112722105 -0.0477293963 0.0860155654 -0.1098354785 -0.0292424561 -0.0260223040 -0.0317266657 -0.0234664472 -0.0680698726 -0.1021407536 -0.0406324629 -0.0917382458 0.0066650264 -0.0428116110 -0.0089183094 0.0308170241 -0.0413892503 -0.0402131961 0.0415950730 -0.0337232167 0.0047958792 0.0492971219 -0.0711132265 -0.0300514952 0.0225384954 -0.0023427320 0.0283705694 0.0840952781 -0.1283360183 -0.1409787857 0.0766615210 -0.1106660439 -0.0106411968 -0.1026643581 -0.0046403806 -0.0204543065 0.0114375946 0.0922907746 0.0611756456 0.0410286608 0.0094683630 0.0263544243 0.0483931542 0.0078702673 -0.0074349297 0.0042904754 -0.3028509530 -0.0267243240 0.0569856918 0.1324551966 0.0874175140 -0.3544370584 0.2804185047 -0.0595856792 0.2517499755 -0.0613628379 -0.0268438083 0.0651180953 -0.0074813426 0.0269405691 0.1539797773 -0.1580085406 -0.0759631245 0.1089662968 -0.0376248538 -0.0372830927 -0.0536884662 -0.0598022295 -0.0395862960 -0.0849706609 -0.0593121094 -0.0438708726 -0.0455001671 0.0291390459 -0.0029624900 -0.0837282253 0.0728870327 0.0475673954 -0.0862244912 0.0668931615 0.0323988409 -0.0822660717 0.0045496453 0.0246219430 -0.0117968116 0.0227821492 0.0341621010 -0.0261570881 0.0196455104 0.0160891563 0.0076609896 -0.0051719430 0.0313727262 -0.0256460731 -0.0128508664 0.0172246736 -0.0022271737 -0.0034161337 0.0191336603 -0.0093992454 -0.0200046131 0.0080325917 -0.0031426205 -0.0096666010 0.0171419618 0.0171586988 -0.0399348340 0.0314362522 0.0328946598 0.0144699274 0.0150188376 0.0410835960 -0.0149137838 -0.0009899455 -0.0001114186 -0.0246582848 0.0019456945 -0.0125180489 -0.0244422214 -0.0153674209 0.0118267051 -0.0068973597 -0.0134998084 0.0106302559 -0.0029679079 -0.0194796088 0.0043708359 -0.0153023954 -0.0809103251 0.0320282531 0.0327925598 0.0132802107 0.0416808686 -0.0027508344 -0.0312870106 -0.0637307983 0.0125582440 -0.0988114848 -0.1714586839 0.0148886948 -0.1157664324 0.0351777927 -0.0681231447 0.0686047493 -0.0494174568 -0.2503523192 0.0905966077 0.1102111378 -0.1051910954 0.2141715125 -0.1967447050 0.0823986708 -0.0586737519 0.0862882360 0.1094944998 -0.2784349707 0.1542971022 0.2052981593 0.0811205818 0.2439509452 0.0409990041 0.0354231508 -0.0309714214 0.3938111057 0.2093553824 0.0258518369 -0.1180912608 -0.2215533794 0.1038485768 -0.1775576796 0.2392542949 -0.3354433655 0.0111870047 -0.0217288723 0.0108667800 -0.0152424490 -0.0245872876 0.0075906147 -0.0024727865 -0.0219994412 0.0065430308 -0.0045202570 0.0017902328 -0.0012788839 0.0142798976 0.0054491267 -0.0053054030 -0.0140423064 -0.0102096873 0.0222627369 -0.0257714277 0.0078240518 -0.0190373846 0.0054736583 0.0036788991 -0.0022022571 0.0042283050 0.0013266619 -0.0052184247 0.0096147222 0.0043652102 -0.0036902183 0.0042108429 0.0026408911 0.0035079089 0.0066743159 0.0000454478 0.0038190938 0.0006874437 0.0023620987 0.0023280223 -0.0007391383 -0.0012199702 0.0072964218 -0.0114169505 -0.0047866471 0.0033776089 -0.0187775248 -0.0171451012 0.0086267824 0.0503176638 0.1339692980 -0.0670267960 0.1576757746 0.2042921267 -0.1552000382 0.1855406314 0.0313606388 0.0413460508 0.0139271463 0.2300202832 -0.1680881970 -0.1164418042 0.0775630630 0.0168111387 -0.0634669510 0.0796017630 -0.0210588182 -0.1584540345 0.0009105165 0.0247457248 -0.0872837724 0.0753058898 0.1341941123 -0.3076795199 0.1765894601 0.2502616343 0.0863893782 0.0175540626 0.3321584664 -0.0180058828 -0.0124777396 -0.0451767884 -0.0185764183 -0.0294808193 -0.0683616189 -0.0302349043 -0.0633207500 -0.0199967695 0.0248187808 -0.0665891557 0.0063280166 -0.0091665405 0.0099876316 -0.0827505017 -0.0358198260 0.2159314382 -0.1380469919 -0.0561004965 -0.1035208742 -0.2507010834 0.0239403444 0.0117770255 0.0126635231 0.0567958441 0.0346945243 0.0308699099 0.0345832973 0.0298664176 0.0048441056 0.0189365100 -0.0046883515 0.0221545016 0.0557299652 0.0019158317 0.0074398089 0.0219847569 -0.0217375198 0.0379358305 -0.0135922950 0.0205519038 -0.0255321376 -0.0138309832 0.0849142145 -0.0493027074 -0.0462562326 -0.0188891153 -0.0719744586 -0.0080454984 -0.0084857226 0.0006685866 -0.0841000412 -0.0432554059 -0.0060130438 0.0238501109 0.0407754941 -0.0255029434 0.0395739817 -0.0547239979 0.0591853776 0.1007285190 -0.1942329303 -0.0246462930 0.0195673020 -0.0655954305 0.0374712241 0.0753128949 -0.0929893306 0.0303943381 0.0003847040 0.0028103825 0.0000855440 -0.0299207601 0.0392725396 -0.0074816593 0.0035631016 -0.0228359076 -0.0314478147 0.0062042801 -0.0033565415 -0.0006012016 0.0238253934 0.0019557843 0.0531760422 0.0717324176 0.0277459660 0.1142700108 -0.0249993715 -0.0453355189 0.0830185603 0.0413386282 0.0408894536 0.0008226581 0.0042916542 0.1044870574 0.0327981196 0.0891835707 0.0704852302 -0.0605346841 -0.0093361029 -0.0147141704 0.0088732401 -0.0568839551 -0.0110304734 -0.0307024425 -0.0533066013 -0.0415661342 0.0370996923 0.0168855783 -0.0412956065 0.0231948612 -0.0142407829 -0.0230930333 0.0389459352 0.0355865068 -0.0702151687 0.0015275607 0.0536377769 -0.0161112142 0.0398829556 -0.0140560120 -0.0515094944 0.0097026053 -0.0440320479 -0.0721922246 0.0370443472 0.0120182394 -0.0375886020 0.0246929593 -0.0093282620 -0.0632572649 -0.0389316192 0.0626511833 -0.1256127512 -0.0667262847 -0.0729218625 -0.0861745241 -0.0857915364 0.0966767543 0.0200824996 -0.0023139751 0.1885318468 0.0073298863 0.1480092773 0.2186812201 0.1221966022 -0.1286082072 0.0010774186 0.0208196503 -0.0550457793 -0.0443731535 -0.0067119727 -0.0177226844 -0.0092653337 0.0270664628 -0.0463676170 -0.0798536623 -0.0255044286 -0.0318673965 -0.0190237930 -0.0040936295 0.0333981590 -0.0037694794 -0.0103303730 0.0152344211 -0.0087516659 -0.0091534466 0.0468569139 0.0006695297 0.0230357658 0.0162964317 -0.0254263143 0.0371133671 0.0559887141 0.0251723557 0.0777489725 -0.0016475058 0.0326146435 -0.0093387232 -0.0085291790 0.0349844862 -0.0198022114 -0.0057922465 0.0443894823 0.0019144816 0.0022720207 0.0507915860 0.0222489437 -0.0173820730 0.0649335762 0.0144498034 -0.0456856696 0.0705361614 0.0512407477 -0.0338896419 0.0389827264 0.0468314019 0.0211265433 -0.0215627942 0.0444744436 -0.0470353748 -0.0679309129 -0.0085009379 -0.0429744794 0.0030594348 0.0755498818 -0.0468206732 0.0077002991 0.0053789274 0.0078863211 -0.3324727307 0.0579816521 0.0420067748 0.1073195708 -0.0140510742 -0.3539946465 0.2126455823 -0.0163298859 0.2084691525 0.0598733553 0.0035443145 0.1390617497 0.1669785699 0.0533031163 0.2687440261 -0.0337151584 -0.1031561089 0.2020781844 0.0958327008 0.0965730981 0.0209101155 0.0156623178 0.1968148864 0.0521421961 0.1790054307 0.1401837794 -0.0640438360 -0.0073460631 0.0272198887 0.0333174664 -0.1845862785 -0.0901125325 -0.0529406875 -0.0207158818 0.0367401201 0.0918888881 -0.0132848751 -0.1122892299 0.0509408986 -0.0336731213 -0.1718503869 0.0799999232 -0.0813422264 -0.0552885210 0.0118685613 -0.0277532691 -0.1608931028 0.0710536821 0.0386315458 -0.0647298939 0.0424509407 0.0271118361 -0.0759886393 0.0528475003 0.0307853170 -0.0881226014 0.0492094467 -0.0105867014 0.0088153799 0.0127364757 -0.0129767922 0.0271435836 0.0071874829 0.0041002705 0.0204517906 0.0180110966 0.0459750593 0.0636349341 -0.0311771161 0.1254696831 0.0351781958 0.0708033193 0.1258514186 0.1239988157 -0.1128010076 0.0181487246 0.0471118552 -0.0176152329 -0.1586645879 0.1188368217 0.0201414324 -0.2568826305 0.3819675890 -0.0175062362 -0.2892820715 -0.0241735652 -0.1557030524 -0.0781962705 -0.0113471536 0.0515948556 0.0139558708 -0.0233255396 -0.0129555573 -0.1088704361 -0.0982287553 0.1043107476 -0.0482962791 0.0182772584 0.0156962999 -0.1220329883 0.0445389559 0.1078409475 -0.0086924468 0.1394197619 -0.0388481036 0.0079160489 -0.0516260202 -0.0263689072 -0.0059852647 -0.0496705015 -0.0191036215 0.0204577626 -0.0421081166 -0.0203815318 0.0772526910 0.0388638485 -0.0237502520 0.1122747880 0.0234956011 -0.0851353896 0.1496784021 0.1053660940 -0.0734909067 0.0447447713 0.1094623826 0.0915918642 0.0861195641 -0.1459060684 -0.0739762164 -0.0042906740 0.1360545219 0.1097020444 -0.0460912440 0.1218991190 0.1110863348 0.0511614935 -0.0329458235 -0.0018976405 0.1095237849 -0.1006903038 0.0124260706 0.0755667115 0.1053167408 0.0220875983 0.1157262314 -0.0840691274 0.0223521174 -0.0691932284 -0.0475581908 -0.0462405970 -0.0771587052 -0.0424805530 -0.0482646092 -0.0692743010 -0.0292495401 -0.0520560485 -0.0570243210 0.0109096441 -0.0413525875 -0.0960410306 0.0455090294 -0.0492123985 0.0145949428 0.0210507928 -0.0285709976 0.0087598911 0.0469151173 -0.0481915909 0.0689313209 -0.0028564569 0.0240154282 0.0878823253 0.0909719833 -0.1195499063 0.0011627923 0.0273329890 -0.0135442983 0.0044223063 0.0361759969 -0.0180180690 0.0152276939 0.0140593178 -0.0093456696 0.0052442587 0.0408366952 -0.0190320974 -0.0070008835 0.0183823488 -0.0079047589 -0.0056212380 0.0239039952 -0.0102968181 -0.0035687594 0.0251013332 -0.0089014262 0.0049610421 -0.0008088974 -0.0011885487 -0.0078880311 0.0111997971 0.0038717875 0.0125643629 -0.0068095364 0.0100334290 -0.0202374879 -0.0267530920 -0.0048516058 -0.0489905360 -0.0146329711 -0.0405198011 -0.0528848749 -0.0553229881 0.0293249805 -0.0043377968 -0.0186066554 -0.0035013845 0.0224225842 -0.0535387011 -0.0007104869 0.0588581412 -0.1158608171 0.0007310277 0.0517618901 -0.0153628014 0.0478764443 -0.0070783255 0.0079488307 0.0130158020 -0.0543831342 0.0143923627 0.0473119680 0.0135037862 0.0602608277 -0.0187949377 0.0007451112 0.0067100541 0.0113601817 0.0023483341 0.0050853467 0.0078486802 0.0096844380 0.0104066989 0.0171828076 0.0063162105 -0.0001534525 -0.0010893795 0.0118455916 0.0010269466 -0.0044100260 0.0077647517 0.0003041499 -0.0013397064 0.0061287289 -0.0000166894 -0.0043661008 0.0120749214 0.0021762891 -0.0049320323 0.0070684786 -0.0016157533 -0.0042041812 0.0024120697 0.0044343810 -0.0056219278 -0.0301340490 0.0339504889 0.0051156840 -0.0126613420 -0.0424527376 -0.0390432314 -0.0401151895 -0.0652039406 -0.0368379519 0.1486810171 -0.0703545441 0.0068977677 0.2185305880 -0.1672863805 0.0286242915 0.2148531719 0.2105834510 -0.0019013312 0.3115329054 -0.1989805384 0.0695086653 -0.0838958434 -0.0994834028 -0.0236468627 -0.0489374680 -0.0756207946 0.0266238040 -0.1118400960 -0.1120581547 -0.0098032931 -0.0355399371 0.1483120495 -0.0397146964 -0.1971240516 0.4469435233 0.1124564043 0.3036064318 0.2799288942 -0.2376738648 -0.0788577086 0.0059906210 -0.0083859393 0.0380165014 0.0197913522 0.0902172415 -0.1122639013 -0.0501753897 -0.0935519924 -0.0054883232 -0.0494315936 0.0233944254 -0.0197101526 -0.0844091593 0.0420488112 -0.0506054706 -0.0104182771 0.0010303907 -0.0147965941 -0.0854024212 0.0393526315 0.0260734151 -0.0222442982 0.0146727037 0.0150154520 -0.0320452239 0.0245812061 0.0240771133 -0.0361124546 0.0217485966 -0.0183482713 0.0312858478 -0.0060808190 -0.0159090202 0.0406133210 -0.0113785529 -0.0099653812 0.0574445600 -0.0157412236 -0.0026400451 0.0578186494 0.0001319033 0.0593769740 0.0738555309 0.1392736283 0.1076585306 0.1179524556 -0.1049798336 -0.0622849091 -0.0009097697 0.0026006947 0.0064672242 0.0746219870 0.0110017069 0.0053128482 0.0304884764 0.0279210828 0.0168711888 0.0858183807 0.0257107999 0.0922500402 -0.0466233868 -0.1029654282 0.1945551139 -0.0983902483 -0.2346726577 -0.0108947013 -0.2395561708 -0.0074773394 0.1214393799 -0.0091150623 -0.1123966157 0.2716610175 -0.0323332028 -0.2515147963 0.0450046611 -0.2336407849 -0.0108170336 0.0530881114 0.1436831412 0.0668176558 0.0507829656 0.0123805521 0.1158258391 0.0999658970 0.1975888219 0.1309413940 -0.0991752220 -0.0372031794 0.0572398000 -0.2280869328 -0.0418453587 0.1569667334 -0.2804980349 -0.1302597126 0.1592685616 0.0069370671 -0.2283484173 -0.1653960222 0.0388062487 -0.0585166944 -0.0006820096 -0.1033243644 -0.0244399661 0.0191175796 -0.0740180952 0.0104513852 0.0187257384 0.0216560189 -0.0171500850 -0.0026865324 0.0400614347 -0.0627755807 0.0104497081 0.0371896346 0.0557312223 -0.0002488049 0.0580174506 -0.0375216847 0.0176799460 -0.0292615743 -0.0210894113 -0.0215716365 -0.0269567933 -0.0190890511 -0.0186436830 -0.0195431706 -0.0208064306 -0.0247081942 -0.0214127110 0.0322412367 -0.0048966634 -0.0479955510 0.0094502502 -0.0556730277 -0.0001395142 0.0198219091 0.0448856495 0.0180597697 0.0805114609 0.0057362594 -0.0503332956 -0.0445317044 0.0358198543 -0.0158781400 0.0312280867 -0.0388508926 -0.0035749026 -0.0586358840 0.0274062911 -0.0222215615 -0.1092970929 0.0528420184 -0.0647768299 -0.0062989678 -0.0053696731 -0.0181322675 -0.1041289401 0.0458065646 0.0282078672 -0.0225137577 0.0184101542 0.0127806110 -0.0443499835 0.0347248525 0.0147003149 -0.0601934295 0.0316803030 -0.0448717416 0.0647295036 -0.0140846073 -0.0678130843 0.1134698691 -0.0137787793 -0.0042429999 0.1001869402 0.0027968285 -0.0179060884 0.0809174547 -0.0219555052 0.0613111387 0.1230528464 0.1739413677 0.1222636883 0.1862443314 -0.1625435379 -0.0742872768 -0.0219803858 -0.0099243838 -0.0329935989 0.0194482465 0.0106501061 0.0022689281 0.0081394286 -0.0078178122 -0.0397912526 0.0186610928 0.0146028065 -0.0057602498 -0.0129787878 0.0007021065 0.0140000940 -0.0242896939 -0.0265322904 -0.0292482620 -0.0548590113 0.0179865870 0.0165825625 0.0028035645 -0.0155408426 0.0436425352 0.0031599445 -0.0320478729 0.0065146106 -0.0282024810 0.0003488919 0.0153399790 0.0222905705 0.0072885982 0.0159599357 -0.0047683546 0.0173866692 0.0293629670 0.0357898740 0.0211266520 -0.0038449311 -0.0020413651 0.0049105124 -0.0256983572 -0.0056985188 0.0162435965 -0.0311218448 -0.0117136172 0.0188743800 0.0139356578 -0.0313163360 -0.0235321646 0.0315418238 0.0112120775 -0.0161958931 -0.0687094767 -0.0171230047 -0.0152159108 -0.2154530466 -0.1148277499 -0.0034643329 -0.0225916730 0.0273026164 0.0005907318 -0.1015628505 0.1176866188 -0.0176126509 -0.0352859983 -0.1066520362 -0.0598861368 -0.0615984513 0.0599413941 -0.0124603169 0.0736137496 0.0304769405 0.0530833621 0.0946325497 0.0394412143 0.0802850762 0.0189344244 0.0159431640 0.0741032193 0.0680747904 -0.0202221765 -0.0067949210 0.0601363805 0.2294069709 0.2551535991 0.1746781471 0.1118573982 -0.3421258852 -0.1102035697 -0.2932152195 0.0143532385 0.1216848645 0.1334804043 -0.0401781602 -0.2219425167 -0.3625627157 0.1024379843 -0.0029358825 -0.0629818959 0.0295901852 -0.0248891289 -0.1255831486 0.0605320706 -0.0805382735 0.0046293319 -0.0079594310 -0.0231740010 -0.1241301433 0.0530513570 0.0350296253 -0.0199925152 0.0180615626 0.0186572883 -0.0489049742 0.0367898443 0.0175324366 -0.0657858984 0.0327572074 -0.0647322872 0.0940329494 -0.0194158794 -0.0855134118 0.1411683733 -0.0204691046 -0.0221986294 0.1510170497 -0.0150235754 -0.0462340088 0.1077273607 0.0036149949 0.0313581045 0.1536096931 0.2077592508 0.0825443183 0.2364331362 -0.1331659102 -0.0605093102 -0.0137821548 0.0226035800 0.1492862441 0.0412696656 -0.0291449277 0.2099859800 -0.2124962189 0.0280643633 0.2944012949 0.1767941058 0.1284262703 0.1112030490 0.0535197048 -0.0441948545 0.1949022400 0.0759670450 -0.0539888866 0.1725996220 0.0435461256 0.0240231037 -0.0637462845 -0.0409365433 0.0594461092 -0.2014724158 -0.0435955050 0.1453414023 -0.1026092557 0.0651284362 -0.0603548017 -0.0862380098 -0.1164111319 -0.0370469632 -0.0903659461 0.0684359304 -0.1037643741 -0.1878931234 -0.2161253846 -0.1406385766 0.0111811215 0.0038151351 -0.0242163950 0.1135054499 0.0156995609 -0.0862567631 0.1397415809 0.0578999406 -0.0924088006 -0.0718488844 0.1446414402 0.1192493144 0.0362852388 -0.0455278552 0.0246089414 -0.0145457346 -0.0431665703 -0.0419936511 0.0017620520 -0.0740092840 -0.0424299679 0.0028305695 -0.0077563651 -0.0023225340 0.0099508564 -0.0279978645 0.0039863274 0.0072225272 0.0150012064 -0.0004896833 0.0140859806 -0.0104393307 0.0066246727 -0.0076322690 -0.0068673017 -0.0049607535 0.0048112101 -0.0021711092 0.0093072930 -0.0122268504 -0.0195302766 0.0003533675 -0.0039816144 0.0188733895 0.0001011695 -0.0014392561 -0.0243236843 -0.0429490220 -0.0172841512 -0.0023483895 0.0557747076 0.0092138022 0.0514985533 0.0047962825 -0.0362276766 -0.0222222926 0.0182503813 -0.0137531656 0.0220888975 -0.0174290963 -0.0040387220 0.0856128006 -0.0386157065 0.0197386495 0.1667620467 -0.0754863099 0.0858380637 0.0091445384 0.0090541581 0.0234666761 0.1529278111 -0.0598241459 -0.0228681854 0.0309647280 -0.0258172564 -0.0049416998 0.0918398742 -0.0543083247 0.0124954309 0.1062422584 -0.0444015030 0.1072138594 -0.1341918990 0.0350561542 0.1758032134 -0.2240579080 0.0152653241 0.0166113152 -0.1714206703 -0.0278422234 0.0298506541 -0.1496665557 0.0438773337 -0.0015711828 -0.1045765666 0.0588844599 0.1310857442 -0.2761453331 -0.0053401282 -0.1092799321 -0.0543359777 -0.0347442009 0.0161961513 0.2288135226 0.0741404719 0.0010714308 0.1226010783 0.1185950362 0.0952183441 0.2708150147 0.1080845691 0.0758440555 0.0369458562 -0.0471503681 0.3213573805 0.0024974055 -0.2268913899 0.0017901481 -0.2325315290 0.1469212406 -0.0227567729 -0.0375471272 -0.0037925914 -0.1084476866 -0.0575293594 0.0194015950 -0.0590725332 -0.0067464649 -0.0603092873 -0.0557672151 -0.0667016393 -0.0162737416 -0.0733797684 0.0367895180 -0.0457468324 -0.1205930031 -0.1264848743 -0.0749834475 -0.0048977907 0.0023788493 -0.0024926587 0.0423792367 0.0037703091 -0.0393623234 0.0582354750 0.0374046597 -0.0390081999 -0.0452516127 0.0733345054 0.0784850820 0.0311827699 0.0133593900 -0.0209071327 -0.0962961980 0.0379606623 0.0421003053 -0.1948021307 0.0781999254 0.0519274837 0.0027409793 0.0012181265 0.0026278403 -0.0137046676 0.0093344173 0.0023279744 0.0058421470 -0.0045707197 -0.0122498064 0.0042768055 0.0000072455 0.0033738976 0.0081490115 0.0018326559 0.0048652014 0.0161842135 0.0014217988 0.0117370801 -0.0031665850 0.0020428738 0.0081064974 0.0092582757 0.0080161401 -0.0060724319 -0.0004061299 0.0509252858 0.0312118105 0.0388464671 0.0340729849 -0.0662337152 -0.0204148948 -0.0367148161 0.0049530611 0.0105752891 0.0217842239 0.0065120176 -0.0509458702 -0.0630800439 0.0081785110 -0.0051824117 0.0260004158 -0.0094624963 -0.0199284843 0.0206059654 0.0015695659 -0.0244850287 0.0421409877 -0.0225088309 0.0003133673 0.0133246552 0.0049526591 0.0289969040 0.0207038004 -0.0069204816 -0.0176919837 0.0499545501 0.0179057967 0.0766460571 0.0491567592 0.0188893189 0.0093771450 -0.0078974538 -0.0085949697 -0.0586162688 0.0745928401 0.0129403850 0.0803982273 0.0380877208 0.0309496722 -0.0733555177 -0.0685066552 0.0112386083 0.0212568904 0.1645160675 0.5108247273 0.3338696210 0.0814655366 -0.3541454686 -0.1919388612 -0.1555929291 -0.0312637313 -0.0042995363 -0.0624509598 -0.0024990495 -0.0703929150 0.0976022191 -0.0242378402 -0.0905190124 -0.1422976042 -0.0933126566 -0.0303700907 -0.0255270618 0.0198736318 -0.1610862816 -0.0013418820 0.1249894131 -0.0185541269 0.0968557595 -0.0883144945 -0.0005427317 0.0096828618 -0.0043538771 0.0186276726 0.0330288938 0.0221868973 -0.0039247841 0.0197440078 -0.0157025197 0.0122019035 0.0159153672 0.0025815534 0.0142946718 -0.0264314414 0.0175284070 0.0374704446 0.0401886370 0.0273623761 0.0018511136 0.0007952228 0.0005755052 -0.0114014709 0.0007943060 0.0119212077 -0.0133362206 -0.0100528862 0.0099866302 0.0129488846 -0.0179741768 -0.0197723463 0.0625013485 0.0592966116 0.0076193236 0.1289287541 0.0551339018 0.0164655038 -0.0336145402 -0.0216719912 0.0255785515 0.0008793019 -0.0128245988 0.0038469447 -0.0394950237 -0.0316139767 0.0170402161 -0.0083446164 -0.0680982227 -0.0045770249 -0.0181617739 0.0438127976 0.0337995064 0.0430628522 0.0042553673 -0.0020188338 0.1598274723 0.0465549619 0.1353413696 -0.1010505668 -0.0819667815 0.0681952263 0.0241995345 0.0100554861 -0.0641622504 0.0915314359 -0.1330177846 -0.1472893318 -0.0632892534 -0.0658098737 0.1171674898 -0.0558191746 0.0712778644 -0.0336665596 0.0121976028 0.0002780084 0.0514683113 0.0548746296 0.1590244882 -0.0868026135 0.0034335276 -0.0111211464 0.0069364693 -0.0233360807 -0.0231786831 0.0279471039 -0.0123316398 -0.0053364311 -0.0205544865 0.0199126953 -0.0159040174 0.0255697679 0.0061334108 -0.0003479811 0.0031505480 -0.1264607277 -0.0013796062 0.0963202247 0.1231803145 0.0569286297 0.0748886373 -0.0107032950 -0.0025656053 -0.0538117168 -0.3167193999 0.2238088451 0.0903930078 0.2727774831 -0.0445283210 0.2378050994 0.0319426929 -0.0366468902 -0.1677728383 0.1115077043 0.0072653440 0.0436935783 0.1431819450 0.0895472017 -0.2906576069 -0.0146738223 -0.0757478833 -0.0029324205 0.0268222799 0.0243935003 0.0441103268 -0.0825969328 0.2251132150 0.0318968440 0.0170246703 -0.0930126694 -0.1492846156 0.0156145279 0.0036141992 -0.0086131300 0.0114577986 0.0033175977 -0.0079661240 -0.0141990081 -0.0164291643 -0.0156838357 -0.0038888409 -0.0045457352 -0.0177293219 -0.0346794452 -0.0004560552 0.0089341724 -0.0197149811 0.0142649856 -0.0474780170 -0.0127246495 -0.0146797715 -0.0015012087 -0.0225214706 -0.0112930504 0.0020823384 -0.0167752597 -0.0172858094 -0.0033591627 -0.0068510973 0.0009272249 0.0033683502 0.0045329565 0.0029004743 -0.0024008964 0.0033239703 0.0050397816 -0.0020785469 -0.0166239014 0.0160652888 0.0156377002 -0.0473741531 0.0983443576 0.0554879065 0.0329553712 -0.0517020338 0.1148059013 0.1244057186 0.1085325540 0.1122590856 -0.0023531009 0.0105399869 -0.0108373342 0.0805406780 0.0242287899 -0.0282897442 0.0153772266 0.1209798013 0.0108349516 0.0395951737 -0.0815912414 -0.0483614732 -0.0753950164 -0.0131940429 0.0024299004 -0.2412674919 -0.0870728441 -0.2042920550 0.1654666496 0.0991521731 -0.1033044123 -0.0360077531 0.0173858087 0.0991019545 -0.1503826495 0.1360121532 0.1085854761 0.0635053710 0.0882410904 -0.0605564744 0.1158141558 -0.0284606067 0.0408249278 -0.0160840687 -0.0089792348 -0.0933746034 0.0540589960 -0.0733789113 0.0851450986 -0.0050422586 0.0218012336 -0.0107561784 0.0077618395 0.0217391061 -0.0192821999 -0.0107420491 0.0332341072 0.0016475786 -0.0187508413 0.0122458320 -0.0168427595 0.0163214259 0.0117940450 -0.0060140035 0.1080632912 0.0266336927 -0.0743623574 -0.0610641257 -0.0220151602 -0.0558359087 0.0072417787 0.0037932055 0.0420967838 0.2327199196 -0.1427242217 -0.0718278045 -0.1943396967 0.0688153680 -0.1870419794 -0.0703939337 -0.0046809392 0.1433814987 -0.0583801997 0.0570135375 0.2526544382 0.0855997480 -0.0266487193 0.0250541960 -0.0986352392 -0.0122808491 -0.0216036400 -0.0141752747 -0.0465597842 -0.0333254350 0.0256793592 -0.1513540663 -0.0177304435 -0.0371165074 0.0220778376 0.0962516634 -0.0224860982 -0.0144084823 0.0131080514 -0.0765041367 -0.0015921010 0.0618205807 0.0093170178 0.0602829077 -0.0304919943 0.0020060349 0.0057705089 0.0131987227 0.0307964104 0.0136642069 0.0075234367 0.0160578009 0.0016123556 0.0293321365 0.0127108948 0.0158249665 0.0017194687 0.0207185608 -0.0013820843 0.0041861996 0.0235937062 0.0260874876 0.0122551682 0.0052866678 -0.0001570135 -0.0022307279 -0.0075108941 -0.0011674468 0.0065969330 -0.0059654914 -0.0074220568 0.0046149234 0.0160277012 -0.0173650828 -0.0176173715 0.0742029736 -0.0493623754 -0.0432179414 0.0253748368 0.0599425441 -0.0801411847 0.0387725180 0.0433305687 -0.0841785346 0.0002571189 0.0092559470 -0.0053520367 0.0740451320 0.0968265816 -0.0465331754 0.0217099693 0.0994267508 -0.0114368205 0.0414344258 -0.1281398702 -0.0840026563 -0.0636160818 -0.0129613890 0.0290521507 -0.2970840990 -0.1398757434 -0.2790697788 0.2817792932 0.1637021520 -0.1268898444 -0.0379896464 0.0255779596 0.1491644294 -0.1685251944 0.1924604666 0.1920755856 0.1076735601 0.1220163349 -0.0610048400 0.1097445904 -0.0292330341 0.0206705092 -0.0000723203 -0.0070109279 -0.1210972405 0.2060393252 0.0745747391 0.0858853048 -0.0010649207 0.0011131644 -0.0091554229 -0.0920345939 0.1623752347 0.0094395498 0.0083348249 0.0161654439 0.0535943258 0.0907622142 -0.0703481470 0.1275721376 0.0023058994 -0.0186952135 -0.0423250162 -0.3369770671 0.1122957238 0.1596325045 0.3212885706 0.0820556712 0.1856675890 0.0144070553 -0.0346277526 -0.0370790822 -0.2626802569 0.0277056302 0.1362823510 0.2710049051 0.0615098489 0.1459371493 -0.0031434996 -0.0118210398 0.0054208842 -0.0089083245 0.0118678658 0.0280570875 -0.0216471267 0.0525135156 0.0028267376 0.0057929349 0.0140746631 0.0356199138 -0.0367856308 0.0152686129 -0.0417578544 0.0446148843 -0.2153181845 -0.0051235569 0.0308415676 0.1499055503 0.1527956483 -0.0388550664 0.0141273166 0.0199452054 0.0799055450 -0.0708899637 -0.1663168939 0.0503236886 -0.1146586214 0.2238935728 -0.0264776451 0.0214585851 0.0283743092 0.1011383749 -0.0539445665 -0.1768145412 0.0733475902 -0.1097129539 0.2239580102 -0.0071580510 0.0113871946 -0.0164396073 0.0586046574 -0.1084136388 -0.0052007795 0.0555719702 0.0881318281 0.0756582202 0.0141802891 -0.0061754751 -0.0145511599 0.0045654434 0.0229592284 0.0544484371 0.0960152884 -0.0538211498 -0.0366040596 0.0190293361 0.0004832895 0.0346040025 0.0072169917 -0.0296211397 0.0276583943 0.0104392617 0.0340642384 -0.0654726853 -0.0593225555 -0.1310643931 -0.0665131581 0.0061980933 -0.0091461895 0.0031853614 -0.0035422849 0.0509690705 -0.0156574344 0.0023999172 -0.0494230362 -0.0142964707 -0.0042572038 -0.0309249658 -0.0273232457 0.0186189682 0.0025210670 0.0211105721 -0.0126958440 -0.0335891968 -0.0347398435 0.0729520974 0.0416539012 -0.0068863410 -0.0093900416 0.0060252738 0.0228485184 0.0038823200 0.0004727427 0.0289186193 -0.0132918504 0.0009266666 0.0377991301 -0.0237797850 0.0102165960 -0.0298272375 0.0089685837 -0.0029394178 -0.0057362321 0.0634817170 0.0840238830 -0.0434799389 -0.0010569330 -0.0015907717 -0.0066368240 -0.0583159534 0.1158344793 0.0010199336 0.0132996979 0.0033675958 0.0446403249 0.0615445583 -0.0469940407 0.0841941437 -0.0028419902 -0.0143019932 -0.0279211025 -0.2053135534 0.0772749929 0.0888394434 0.1898870896 0.0414425483 0.1131903254 0.0138467447 -0.0217953812 -0.0130637983 -0.1173139382 -0.0211436766 0.0775939121 0.1336241905 0.0391341795 0.0622385381 0.0025237013 0.0020446443 0.0145486022 -0.0145265146 -0.0000413283 -0.0185558471 -0.0298498804 0.0038901291 0.0393895064 0.0000459146 0.0223221621 0.0102984719 -0.0260580454 -0.0087136900 -0.0012750009 -0.0369447493 -0.0515650510 0.0181288307 -0.0409674931 0.0142021692 0.0443157456 0.0152093970 -0.0208330785 -0.0462291225 -0.0651336821 0.0947105554 0.1646923175 -0.0973201984 0.1015781873 -0.2660520134 0.0411353398 -0.0372331523 0.0082416979 -0.1548242194 0.0496645459 0.2777491699 -0.0930150837 0.1427248706 -0.2560635457 0.0536282311 0.0109510524 0.0549615448 -0.0884810932 0.3829171855 -0.0104603939 -0.1046846311 -0.2144233041 -0.2361564137 0.0043724186 0.0074889201 0.0187598736 0.0148438802 -0.0861380171 -0.1841547175 -0.2585498409 0.1469117971 0.0923764743 0.0107508495 -0.0418832350 -0.1480489071 0.0034855951 -0.0157360703 -0.0012927968 -0.0252776139 0.0206214252 -0.0107018498 -0.1155767263 -0.0530836753 -0.0042070331 0.0050601235 -0.0064605535 0.0031273919 -0.0059964586 0.0422222173 -0.0116825282 0.0037090134 -0.0364922601 -0.0149508626 -0.0028604494 -0.0253131080 -0.0221731341 0.0131063380 0.0019305333 0.0153664231 -0.0102006053 -0.0272119300 -0.0280984878 0.0515816953 0.0369720938 -0.0071179313 -0.0066890033 0.0028754146 0.0119076940 -0.0032222078 0.0024803530 0.0142688018 -0.0090648140 0.0018521027 0.0152101098 -0.0144627383 0.0046604766 -0.0188592831 0.0059397645 -0.0013697104 -0.0018446388 0.0195900311 0.0314550019 -0.0294620556 -0.0007267136 0.0032915168 -0.0104887825 -0.0602693293 0.1109105828 0.0012429456 -0.0038394020 0.0260664389 0.0382824149 0.0544273560 -0.0581719444 0.0843996004 0.0085866354 -0.0102393593 -0.0284349422 -0.1578093134 0.0824996869 0.0626501528 0.1693226903 0.0277762067 0.0951198981 0.0011147182 -0.0113341125 -0.0016350702 -0.0544112465 -0.0370491954 0.0454084684 0.0527178643 0.0684272795 -0.0026704673 -0.0225328502 -0.0034320025 0.0431346776 -0.0010722491 -0.0185922382 0.0618272431 0.0152835726 -0.0003328612 0.0131746046 -0.0199558308 0.0197442850 -0.0117611121 -0.0133832631 -0.0112658404 -0.0194192845 -0.0164456034 -0.0947020760 0.0162789223 0.0134324712 0.0376282426 0.0524898109 -0.0112701565 -0.0003245069 -0.0076093337 0.0074469025 -0.0021808140 -0.0197640693 0.0119939709 0.0002105976 0.0127911875 0.0003904945 -0.0007243025 0.0145889400 -0.0023950922 -0.0102700667 0.0009025242 0.0247776504 0.0053898187 0.0316697160 0.0099949729 0.0057664700 0.0077909173 -0.0007565306 0.0557449625 -0.0052288809 -0.0082713418 -0.0228182796 -0.0306809982 0.0042996475 -0.0001490675 0.0003183591 0.0048639433 -0.0117781265 -0.0243586392 -0.0286603004 0.0170283099 0.0097042694 0.0061617416 -0.0079274491 -0.0214944146 0.0196041869 -0.0115580254 -0.0086979093 0.0035755596 0.0094441357 -0.0020392619 0.4229365970 0.3122666805 -0.0334266253 -0.0326880864 0.0539147797 -0.0206784984 0.0227865536 -0.2581226283 0.0765179048 -0.0355759023 0.2085772550 0.1057158844 -0.0031382943 0.1968439533 0.1383940582 -0.0721294971 -0.0106180343 -0.0932197694 0.0476262515 0.1972930362 0.1755189963 -0.3175566161 -0.2281249472 0.0488893817 0.0449954818 -0.0502475686 -0.0606402240 0.0105040432 0.0536315641 0.0164346848 0.1327360895 0.0024651809 -0.1776198101 0.0820320640 -0.0418530849 0.1090451003 -0.0243386672 0.0127822076 0.0077252865 -0.0209637894 -0.1002722328 0.2082955058 -0.0002660294 0.0060939512 0.0136869324 0.0910183538 -0.1749998344 -0.0000995727 -0.0043411355 -0.0247567702 -0.0749065301 -0.0888249682 0.1014831017 -0.1368805653 -0.0002826245 0.0193500857 0.0405906669 0.2338133010 -0.1254750434 -0.0834355154 -0.2180826010 -0.0022135803 -0.1465363125 -0.0011567081 -0.0004469069 -0.0081816071 0.0359027248 0.0835598415 -0.0585191742 -0.0372523959 -0.1074613807 0.0232842752 0.0109029704 -0.0219577810 -0.0662931517 0.0359452563 0.0038257627 0.0146874745 0.0516675386 0.0174051876 -0.1096229063 -0.0055278937 -0.0255324107 0.0261876053 -0.0686164498 0.0029788489 -0.0493259170 -0.0601046722 -0.2746488703 0.0431422021 0.0794681340 0.1629823743 0.1475667087 -0.0625452103 0.0211602797 -0.0364784752 0.0902243556 -0.0665273853 -0.2450355772 0.0080262391 -0.1550764573 0.1957551704 -0.0221419869 0.0066767872 0.0639409097 -0.0155882434 -0.1011892102 -0.1124638421 0.0494585782 -0.0840314398 0.2017011914 0.0538098164 0.0271867913 0.0518487889 -0.0312768290 0.3532193241 -0.0251656236 -0.0283869303 -0.1554994127 -0.2213661439 0.0403076294 -0.0098714839 -0.0027828945 0.0765799906 -0.0908307243 -0.2004511552 -0.1810307329 0.1250369700 0.0536389549 0.0317307706 -0.0316748898 -0.1402432933 -0.0022012690 0.0050431287 0.0436211489 0.0340786596 0.0130074456 -0.0103418389 0.1286210650 -0.0217347633 -0.0243903935 -0.0008778671 0.0007327766 -0.0014977949 0.0026784371 -0.0136124876 0.0028126286 -0.0029773541 0.0031025464 0.0077397810 -0.0014569502 0.0115137303 0.0076185864 -0.0010405988 -0.0003599927 -0.0038784976 0.0055814232 0.0101638010 0.0102895136 -0.0110234109 -0.0154840088 0.0042915207 0.0004483472 -0.0006209674 -0.0006421693 0.0045703166 -0.0015335861 0.0024996058 -0.0002557759 -0.0024126874 0.0042015330 -0.0006428885 0.0006649356 0.0008347371 0.0024668828 0.0000805279 -0.0027960550 0.0315157785 0.0304449237 0.0016021495 0.0051815538 -0.0032763004 -0.0182574217 -0.0865057543 0.1330096011 0.0071713539 -0.0352321374 0.0688659729 0.0533205589 0.0670092430 -0.1277001777 0.1279425089 0.0137264554 -0.0087764995 -0.0285510114 -0.1098739854 0.1125067384 0.0240471931 0.1165181228 -0.0671882887 0.1056085834 -0.0302286146 0.0330313789 0.0275188047 0.0607031397 -0.0651879980 -0.0082151023 -0.1051983885 0.1125778662 -0.0910255427 -0.0189365877 0.0110842731 0.0595333097 -0.0081125472 -0.0248457229 0.0289196667 -0.0072507926 -0.0236325031 0.0617119895 0.0166735770 -0.0147771831 -0.0506317798 0.0310026719 -0.0263878575 0.0272608844 -0.0417067593 0.1491476950 0.0061013086 0.0529061930 -0.1269730844 -0.1552230487 -0.0179186315 0.0278321399 -0.0106747261 0.0023505499 -0.0914349449 -0.1967681855 0.0567537668 -0.0892953254 0.1694642953 -0.0289099935 0.0280722129 -0.0020901032 0.0059689674 -0.0901669541 -0.2145132350 0.0493854011 -0.0970780481 0.1667950189 0.0107809805 -0.0112734921 0.0273955991 -0.0631444346 0.1606146181 0.0010644318 0.0172918902 -0.1021810091 -0.1471733428 0.0136754051 -0.0146757603 0.0077707488 0.0993106959 -0.0580118659 -0.1549079374 -0.0990143161 0.0983978660 0.0245693901 -0.0404405191 0.0410453194 -0.0463387788 -0.0019696291 0.0258925389 -0.0503199759 0.0115218337 -0.0487569664 0.0586176638 0.2565735236 0.2304239920 0.0459876863 0.0084897973 -0.0199871646 0.0224051555 -0.0190089913 0.2363290288 -0.0602514174 0.0339815285 -0.0721453816 -0.1071951377 0.0204483031 -0.1829957436 -0.1115891816 0.0089437089 0.0019194434 0.0443834915 -0.0250634353 -0.1735537805 -0.1219423282 0.0871028163 0.2173695905 -0.0546571654 -0.0044178013 0.0073232703 -0.0575161841 -0.0307459082 -0.0376589066 -0.1327827887 -0.0803390512 -0.0189257769 -0.0233614081 -0.0127995852 0.0022698122 -0.0010189377 -0.0041902888 0.0031470301 0.0233042859 -0.1576898486 -0.1390369399 -0.0318569862 0.0024804442 -0.0026768315 -0.0090457049 -0.0421912570 0.0660925192 0.0026901590 -0.0159052109 0.0319449014 0.0278425177 0.0330245627 -0.0628633819 0.0625518293 0.0043460115 -0.0043677409 -0.0122268240 -0.0487825673 0.0551922511 0.0082840102 0.0449193356 -0.0435146723 0.0511135479 -0.0146488746 0.0184852869 0.0131390387 0.0387472728 -0.0257237882 -0.0099998483 -0.0628467839 0.0516274306 -0.0516858287 -0.0062614934 0.0067854360 0.0309876059 -0.0182721823 0.0077760652 0.0068669883 -0.0208657107 -0.0041900292 0.0461462302 0.0246287215 -0.0137105641 -0.0237628954 0.0327642037 -0.0121720705 0.0314113614 0.0064999919 0.1737646749 -0.0237000874 0.0053077911 -0.1176069020 -0.1363226323 -0.0110796571 0.0168102252 0.0032844771 -0.0308679390 -0.0769049464 -0.1245346827 0.0242242187 -0.0646036959 0.1139193818 -0.0250256016 0.0244895875 -0.0154542396 0.0092987426 -0.0612467551 -0.1748927688 0.0079050793 -0.0901334640 0.1043400661 0.0056402994 -0.0112138054 0.0207163814 -0.0648736055 0.1141757358 0.0099395246 0.0288093660 -0.0766380206 -0.1197053483 0.0110629208 -0.0134675141 0.0078326898 0.0888194570 -0.0499739178 -0.1339494841 -0.0847359433 0.0847462234 0.0213768776 -0.0389800504 0.0392833105 -0.0376247665 -0.0117081098 0.0147441253 -0.0357775753 0.0097588623 -0.0219147906 0.0138216388 -0.3238833089 -0.2000285733 0.0423071951 0.0023898390 -0.0202386422 -0.0348155759 0.0515421979 -0.3933149640 0.0836099987 -0.0290241146 0.0635575681 0.1447395114 -0.0018162068 0.1963139271 0.1569668131 0.0112358973 0.0158459345 -0.0473916936 0.0754690795 0.2197257499 0.1673183187 -0.0186562642 -0.3215304836 0.0830488818 -0.0246995225 0.0695858234 0.1157804642 0.0818682341 -0.0644704417 0.0873265387 -0.1046153445 0.0215576166 0.2196004624 0.0032919173 -0.0184847944 -0.0253038260 0.0157668628 -0.0068046382 -0.0519025564 0.0372698329 -0.0009407896 -0.0572745649 -0.0007427771 -0.0054664874 0.0006556075 -0.0016018098 0.0159026994 -0.0041037263 0.0139587030 -0.0161071968 0.0142721836 0.0088859448 -0.0018910335 0.0070534262 -0.0062389042 -0.0017856083 -0.0015958915 -0.0085349207 0.0106532753 -0.0035442135 -0.0003040607 -0.0012002382 0.0037436219 0.0063882551 0.0019028719 0.0035657622 0.0181142176 -0.0150808570 -0.0000481886 -0.0077668495 -0.0032062326 -0.0073069223 0.0035732934 0.0057058819 -0.0079307186 0.0012300926 -0.0023019449 -0.0247527068 0.0091208439 -0.0319390814 -0.0015661824 -0.0210044158 0.0013159815 -0.0023159795 -0.0377545969 0.0158596294 -0.0250300341 -0.0338769208 -0.1550161776 0.0358720831 0.0204753464 0.1054975140 0.1008093853 -0.0032972920 -0.0097295923 -0.0088962149 0.0518739827 0.0595568414 0.0645943134 -0.0290797898 0.0216156496 -0.0635481536 0.0183036243 -0.0244457409 0.0226417665 -0.0208925200 0.0350941348 0.1436282913 0.0063958673 0.0757502005 -0.0663492180 0.0008942151 0.0139924221 -0.0129749128 0.0595647940 -0.0638055494 -0.0136375416 -0.0393806506 0.0526169732 0.0911835065 -0.0041577780 0.0129948039 -0.0091897421 -0.0820769011 0.0379467859 0.1091003233 0.0600014602 -0.0703082374 -0.0135821091 0.0485950828 -0.0479689010 0.0160453835 0.0111988300 0.0010175978 0.0107165092 -0.0045397095 -0.0026283687 0.0121533910 0.4709529337 0.3017094387 -0.0254100503 0.0182946153 -0.0783021794 -0.0116538310 0.0518248321 -0.1679520103 0.0128274419 0.0201743950 -0.0365957873 0.0216734937 0.0423591937 -0.0656152301 0.0271005414 0.0304187947 0.0360343156 0.0058695486 0.0923034724 0.0089243002 0.0396687649 0.1029222760 -0.0742671882 0.0263750975 -0.0482071591 0.1257506468 0.0448951502 0.0931365739 -0.1800757488 -0.1286525983 -0.3706771150 -0.0052417121 0.2575529482 -0.0169203424 -0.0509625954 -0.0212953047 0.0168497212 0.0009538709 -0.0339235675 -0.2490224309 -0.2970662527 -0.1185038337 -0.0236440072 -0.1146688203 0.0328972982 0.0274736124 0.2253060802 -0.0858660321 0.3130258987 -0.3919574781 0.2555351097 0.1301146112 0.0645492456 0.0516992665 -0.1496409309 -0.0294324919 -0.0075782022 -0.1657869705 0.1282057179 -0.0421624468 -0.0983592533 -0.0280402870 0.0400997592 0.1339676059 0.0621730787 0.0166588179 0.2212133899 -0.0870903094 0.0006748518 0.0178518968 -0.0195906567 -0.0438179210 0.0672036063 0.1204268060 -0.0613542926 -0.2400773149 0.3329387464 -0.3156332865 -0.0793715562 -0.2171589253 0.1454341491 -0.1176681866 -0.0668012322 -0.0049628772 0.0053397652 -0.0278374110 -0.0140433324 -0.0285149293 -0.0242276768 0.0027456601 0.0147319636 -0.0294117326 -0.0197659380 0.0078830471 -0.0008540944 -0.0173125107 -0.0146009413 -0.0116648830 -0.0212928144 0.0631610780 0.0282807173 0.0051335300 -0.0206019052 0.0058930347 0.0229882670 0.0189381697 -0.0205361233 -0.0449789344 -0.0234872531 -0.0573579553 0.0685344663 0.0005413549 0.0129647498 0.0062017238 0.0241317182 0.0207713778 -0.0084129393 0.0090540780 0.0126985116 -0.0013532051 0.0134569981 -0.0074134466 -0.0122365089 0.0174397344 -0.0046692649 -0.0092524113 0.0231861600 -0.0113591359 -0.0152893973 0.0150958127 -0.0086410038 -0.0122721480 0.0214064186 0.0203812022 0.0132263025 0.0243209129 0.0156545325 0.0234878654 -0.0336280998 -0.0077461194 0.0266438371 -0.0026998827 0.0080885559 0.0010131811 0.0012712021 0.0108628323 -0.0005665981 0.0002028772 0.0270814976 0.0054835272 0.0007661023 -0.0012847191 -0.0040468362 -0.0084333655 -0.0058244566 -0.0021448971 -0.0099517616 -0.0087046786 -0.0059454263 -0.0105837926 0.0039289350 -0.0050886091 0.0091463374 -0.0037771522 -0.0050797415 -0.0083587009 0.0098503023 -0.0078047462 0.0323944402 0.0031500475 -0.0138268130 0.0064977937 0.0053607508 0.0094992422 0.0021412212 -0.0002250614 -0.0016845951 0.0558578983 0.0520686302 0.0146937941 -0.0132411681 -0.0099935534 0.0356024466 0.1130612727 -0.1344721174 -0.0154940798 0.0938527176 -0.1531288644 -0.0326211728 -0.0649324073 0.1823974075 -0.1499090649 -0.0297365363 0.0014726626 0.0124386760 0.0077828898 -0.1269739920 0.0227759914 -0.0349812750 0.1670568931 -0.1010240740 0.0473371019 -0.0248583068 -0.0447467311 -0.1208793236 0.0242459443 0.0576827776 0.1964671946 0.0126544789 0.0727923523 -0.0087931809 0.0207078225 0.0151236704 -0.0550946893 0.0781698832 0.0126461886 -0.0431829815 0.0565760224 0.0326744498 -0.0233635990 0.0166040958 0.0210106738 0.0318317267 0.0164532050 0.0185361599 0.1827355357 0.1045112651 -0.0894953076 -0.1158902107 -0.0294653025 0.0160290041 -0.0189584335 -0.0009484070 0.0926455667 -0.1045340274 -0.0789628759 0.0208430187 -0.0539396709 -0.0404174240 0.0972066224 0.0659055013 0.0618657666 -0.1222906021 0.1066458322 0.0643374929 -0.1454084872 0.1946664435 0.1045322139 -0.0366283192 -0.0051527151 -0.0996450486 -0.0185102338 -0.1919169974 -0.0384872855 0.0521655161 0.1356561347 -0.1300311386 -0.1858777315 -0.0757848873 -0.0033093939 0.0894072703 0.1487433127 -0.0451589164 -0.1935476991 -0.1884534677 0.2175179720 0.0786586310 -0.2576788846 0.2273738399 0.1015106924 0.0171656700 -0.0255412337 0.0218654053 -0.0010459552 0.0135182559 -0.0852647257 0.2253506487 0.1332401815 -0.1047909942 0.0015840447 -0.0126359629 0.0000589166 0.0087516449 -0.0052401940 -0.0036491906 0.0046822663 -0.0054617489 -0.0042726823 0.0097062808 -0.0291672582 -0.0061439588 0.0030291576 0.0066346894 0.0034984607 0.0138025265 -0.0126433474 -0.0017315077 0.0119438359 0.0103557519 -0.0003187093 -0.0058707204 0.0173959935 -0.0014480577 0.0184767198 -0.0249747216 -0.0210174382 -0.0584229379 -0.0006839896 0.0223401981 -0.0051734871 -0.0116535676 0.0002817027 0.0015882090 0.0011813177 -0.0019438835 -0.0343459415 -0.0411715106 -0.0061596347 0.0174787845 -0.0120348122 -0.0491287893 -0.1648089243 0.2381299968 0.0071871122 -0.0824302428 0.1548494217 0.0997127513 0.1239159586 -0.2715482490 0.2362036377 0.0121166125 0.0003480019 -0.0088104295 0.0032173972 0.2187424355 -0.0659138819 -0.0242499338 -0.2912962758 0.1488532226 -0.0473042010 0.0572592806 0.0604284774 0.2166756416 0.0237408755 -0.1129783023 -0.2908843390 -0.0858911576 -0.0819733435 0.0345314966 -0.0221636774 -0.0734580155 0.0532046844 -0.0443610154 -0.0727720018 0.0717718566 -0.1187253100 -0.0766221043 0.0042809367 -0.0506519117 0.0132367963 -0.0326560397 0.0420819895 -0.0200220785 0.0465702836 -0.1163412892 -0.0062267787 0.0342468608 0.1343762395 0.1038826418 -0.0431802446 0.0051198602 0.0467134104 0.0611545212 0.0082827128 -0.0033707270 -0.1301921988 -0.1040309570 0.0697561372 0.0757049813 0.0036618970 -0.0451548546 0.0093868387 0.0625981805 0.0931099226 0.1616114208 0.1834941230 -0.1027094175 0.0108816763 -0.0518321091 -0.0281302422 -0.0434226346 -0.0666829273 0.0041549378 0.0076769268 -0.0510926117 -0.0220427572 -0.0560565177 0.0232163687 0.0502734469 -0.0314560032 0.0193630852 0.0185383823 -0.0740492489 0.0598678984 0.0488918188 -0.0924457366 0.0728079035 0.0760295234 -0.0054270583 0.0102913775 0.0434332914 0.0325376029 -0.0194380721 -0.0275745627 0.1360632547 -0.0588676703 -0.0436669756 0.0170214806 0.0048020681 -0.0021898750 -0.0466325046 -0.0153502021 0.0141357085 -0.0132358735 -0.1128863566 0.0106594777 -0.0496948811 0.1030581808 0.0145475795 0.0170169116 0.0007705836 -0.0008477729 -0.0343022857 0.0797648549 0.0135873994 -0.0024481689 -0.0169042217 0.0115509530 -0.0218294495 -0.0299563099 0.0147044450 -0.0636890147 0.0734890270 0.0809765741 0.0974871464 0.0190650933 -0.0606885830 -0.0139583954 0.0215755161 -0.0219474642 0.0021658397 -0.0034638545 0.0020553674 0.0943030753 0.1183482833 -0.0304239760 0.0060954245 0.0011684753 -0.0132166974 -0.0415699918 0.0476095414 0.0063111266 -0.0331797252 0.0544812750 0.0141122568 0.0253890442 -0.0709058240 0.0564132875 0.0063249171 0.0006606865 -0.0006266786 0.0048375197 0.0448770751 -0.0124373693 -0.0074490900 -0.0769728942 0.0373678535 -0.0140299856 0.0102319450 0.0141306219 0.0420863827 -0.0016732230 -0.0224379551 -0.0642513574 -0.0344189341 -0.0059575204 0.0136697423 -0.0051421143 -0.0225920464 0.0139162716 -0.0125839797 -0.0335472466 0.0099740730 -0.0315707620 -0.0135498048 0.0011710955 -0.0062440312 0.0089711127 -0.0053792921 0.0281579906 -0.0078273850 0.0552214166 -0.0196166087 -0.0243088262 -0.0176445256 0.0552033122 0.0419415400 -0.0242823184 -0.0079384256 0.0276145693 -0.0051668632 -0.0053254465 0.0215108066 -0.0675043746 -0.0395951560 0.0184408382 0.0076530766 -0.0040690541 -0.0172264878 -0.0002664143 0.0159808812 0.0206873527 0.0126421363 0.0268199963 -0.0351357331 0.0026545710 -0.0049459689 -0.0051006087 -0.0329805642 -0.0136906487 0.0162624391 0.0113821325 -0.0024791799 -0.0072499926 -0.0023282937 0.0054287700 0.0093459244 -0.0092324192 -0.0064775509 -0.0098118080 -0.0399395542 0.0175570448 0.0215909413 -0.0000621826 -0.0035608057 -0.0138004025 -0.0057697975 -0.0019267300 0.0106211804 0.0352650588 0.0165074105 -0.0306855374 -0.2463518602 -0.2605363225 -0.0144845612 -0.0780481724 0.0323160136 0.0103259593 0.1656566145 0.1016359175 -0.0486580202 0.0334041490 0.4953924498 -0.0166095874 0.1686737129 -0.3124495289 -0.0350221118 -0.0716917043 -0.0363515745 -0.0064414723 0.1138757415 -0.2946289349 -0.0367843394 -0.0221702216 0.0028867706 -0.0359593630 0.1098657639 0.0670519999 -0.0327624441 0.2446584154 -0.2115628916 -0.1892074427 -0.1488760029 -0.0739566541 0.2313462973 0.0201233243 -0.0393569003 0.0526639787 -0.0052524292 0.0039027015 -0.0030827001 -0.0742421276 -0.1061466468 0.1092114603 -0.0036876777 -0.0189008344 0.0198264361 0.0428301445 -0.0459326541 -0.0036437511 0.0515614602 -0.0839306865 0.0078755919 -0.0126272210 0.0533923769 -0.0401249190 -0.0206751059 0.0045441036 -0.0038271995 -0.0298411011 -0.0328412715 0.0130890637 -0.0073604189 0.0617099296 -0.0282860814 0.0027838907 0.0309875372 -0.0230855862 -0.0419709882 0.0316271992 0.0073627864 0.0459809124 0.1010159025 -0.0230962737 -0.0047100291 0.0090262455 0.0424026620 -0.0488734377 0.0567939123 0.0281577365 -0.0476669814 0.0338885194 0.0728367000 0.0295811672 -0.0498321849 -0.0172803104 0.0749488919 0.0947909913 0.0346502395 0.1925112886 0.1732427036 -0.0535705526 0.1015242635 0.0497340443 -0.0550828791 -0.1044446294 -0.0059817980 0.0993116101 0.0098872335 -0.0473100560 -0.0161894535 -0.2646405487 -0.2323715796 0.1706233330 -0.0453513724 -0.0917000725 -0.0508264074 -0.2529801838 -0.0907976544 0.0902052059 -0.0237015481 0.0808535880 -0.1590515586 0.0002155712 0.0456116063 0.0073276995 -0.1594039017 0.0070072318 0.1035013046 -0.1744555381 0.0309369252 0.1179087383 0.0810942662 0.0450024979 -0.0332499155 -0.2338735247 -0.0264618952 0.0909803264 -0.1511423145 -0.0957467888 0.0984275192 0.3145464801 -0.3154816221 -0.2891911057 -0.0006785732 0.0055063454 -0.0078838602 0.0414206166 -0.0574884348 -0.0707732264 0.1518607862 0.0077126929 -0.0822822313 0.0034413298 0.0067950301 0.0002782523 -0.0135004677 0.0075871604 0.0025907696 -0.0043485574 -0.0252133020 0.0016970686 -0.0143884120 0.0308260900 0.0025962277 0.0020649523 -0.0042169465 0.0004689401 -0.0164566613 0.0168334983 -0.0000914362 -0.0019858541 -0.0031011948 0.0013748379 -0.0023807996 -0.0103986103 0.0053064698 -0.0204462626 0.0223548638 0.0209099376 0.0528114684 0.0050448709 -0.0083045193 -0.0074799859 0.0123322544 -0.0082644394 -0.0015286718 -0.0021317130 0.0023110020 0.0336898192 0.0491976608 -0.0097487248 0.0115877822 0.0168920149 -0.0343458697 -0.0858355163 0.0934155261 0.0101780999 -0.0831825063 0.1365677417 0.0090374711 0.0411873793 -0.1314523497 0.0991388137 0.0209396883 -0.0023674423 0.0089019826 0.0502676911 0.0735697789 -0.0339947094 -0.0263812272 -0.1530908950 0.0627733456 -0.0113144088 -0.0237358217 0.0310964286 0.0785194177 -0.0091406566 -0.0348421641 -0.1029554504 -0.1917028127 0.0438092159 0.0289095410 -0.0077660312 -0.0856534777 0.0718963614 -0.0717314292 -0.0967553568 0.0575704316 -0.0758141427 -0.0944448613 -0.0571613104 0.0545695812 0.0545546835 0.0701564438 0.0337080789 0.0249513129 0.1811002505 0.1505584696 -0.0713573971 -0.2119953216 -0.0329093896 0.0563686158 0.0455766901 -0.0598336926 0.0524371959 -0.1978479715 -0.0260122542 0.2291323670 0.0718122862 0.1640114147 -0.1316884265 -0.1164868921 0.0072274455 -0.0354325065 0.1052948981 0.0071779315 -0.1831535848 -0.2514205197 -0.2759789795 0.0549217625 -0.0466883682 0.0593049684 0.0336675549 -0.1820713729 0.0120865265 0.1210209126 0.1448302524 0.0985824952 -0.0499622739 0.0892229311 -0.0512253748 -0.0370495086 0.1623387208 -0.1085942034 -0.2163867547 -0.0605242979 0.0462615546 -0.0033190870 0.0604062988 -0.0457559071 -0.1796185584 0.0142396294 -0.0378867994 0.0772136500 -0.0323109258 0.0553930471 -0.0776331980 0.0875914361 0.1216839465 -0.0864807861 0.0169194320 -0.0288403442 -0.0004473583 -0.0208025459 -0.0224411809 0.0026048379 0.0046092189 -0.0986515118 -0.0108544081 -0.0148257777 0.0000399729 -0.0083359204 0.0075183257 0.0219209033 0.0012485476 -0.0055422330 0.0396926265 0.0027046694 -0.0100668099 0.0361422887 0.0007747789 -0.0241906695 0.0099956772 -0.0123580672 -0.0195777357 0.0048466671 -0.0130000628 -0.0696151032 0.0140922316 -0.0508060317 0.0128541835 -0.0114115387 0.0138412485 -0.0088284123 0.0017676122 0.0043205802 -0.0456023326 -0.0613144240 0.0193832556 0.0525456529 0.0751453567 -0.0051135595 -0.0128274094 -0.2854317512 0.1270317535 -0.2835587277 0.3442083182 -0.2381824469 -0.1223078850 -0.1211853240 -0.0312107857 0.0135012534 -0.0222334726 -0.0035800633 -0.0926764869 -0.3152236793 0.1557447494 0.0259583834 -0.0996753942 0.0587894082 -0.0565436689 -0.0209304517 -0.0165613929 -0.1638305258 -0.2591944762 0.1283963365 0.0010612411 -0.0609979549 0.0639511503 0.1092496604 0.0747832316 0.0219869866 -0.1278062077 0.1342655573 -0.3186176425 -0.1603938310 -0.1813493428 0.3041611750 -0.0948597368 -0.0824284078 -0.0176278887 -0.0023269653 0.0002730451 -0.0005979495 -0.0186194686 -0.0009200658 0.0089625335 0.0068668001 0.0006088914 -0.0027795692 -0.0046150828 0.0007922384 -0.0023892571 0.0006481647 -0.0033053245 -0.0109670796 -0.0050762041 -0.0119812506 0.0091515933 0.0048204486 0.0004531319 0.0031148500 -0.0004545968 -0.0006744652 0.0052296613 0.0145567133 0.0123938386 0.0029447781 0.0028585662 -0.0025441600 -0.0016073764 0.0103707182 0.0002217175 -0.0064639302 -0.0044125505 -0.0044703005 0.0010822703 -0.0042545934 0.0021087641 0.0021007665 -0.0054810327 0.0046257464 0.0083773686 0.0024129040 -0.0005486111 0.0001416861 -0.0043744008 0.0038986486 0.0093412369 0.0213011732 0.0166245491 -0.0016034299 0.0195620225 0.0055002292 -0.0005176060 0.0163638479 0.0539410115 -0.0010058307 0.0008818056 0.0016261408 0.0003845160 -0.0044992063 -0.0097224460 0.0050248717 0.0005700005 0.0072180913 0.0067255599 -0.0005431941 0.0020893789 -0.0001992623 -0.0002190828 0.0004637161 -0.0016409558 -0.0006729825 0.0084105269 0.0036080994 -0.0029443157 -0.0047859089 0.0014534758 0.0017487800 0.0019833530 0.0019513346 -0.0032786687 0.0056716227 0.0020936335 0.0138176434 0.0063398497 -0.0038803080 -0.0039205212 0.0016941440 0.0007443406 0.0033904089 0.0001556999 -0.0022019537 0.0716959274 0.0724342231 0.0019256040 0.0004300266 -0.0007957600 0.0029789239 0.0067238606 -0.0124404725 0.0018896505 0.0025768676 -0.0057656827 -0.0034948654 -0.0042832604 0.0065086693 -0.0068254214 -0.0006943589 0.0008238745 -0.0019922282 -0.0072999367 -0.0075806501 0.0051264838 0.0060512344 0.0137773200 -0.0042677874 0.0000259304 0.0019842467 -0.0006017853 -0.0046896925 -0.0203198416 0.0087007456 0.0043906638 0.0149860265 -0.0047630389 0.0015127900 0.0036968986 0.0039353799 -0.0029339318 -0.0015322025 -0.0096304975 0.0076938062 -0.0143281594 0.0026695416 -0.0040955279 0.0076022708 -0.0048665237 0.0032589193 0.0012143998 -0.0153837914 -0.0167143403 -0.0192555484 0.0001195253 0.0417186725 0.0230604882 -0.0019525543 -0.0295443225 0.0047694580 0.0097182264 0.0141686535 -0.0136154324 -0.0396892853 -0.0450654295 -0.0519684182 0.0493457633 0.0175725902 -0.0051177561 -0.0012187909 -0.0340974400 -0.0066425960 0.0315498059 0.0548531691 0.0584507110 -0.0136013558 0.0131087479 -0.0123226284 -0.0098278234 0.0102088513 -0.0060420972 -0.0109324569 -0.0261693740 -0.0205148570 0.0070157868 -0.0116492819 0.0163763325 0.0099817733 -0.0505429658 0.0147906261 0.0394710584 -0.0238113450 -0.0036612403 0.0207683819 0.0101345025 -0.0140364038 0.0037273977 -0.0056791199 -0.0011328249 -0.0101940413 0.0585706358 0.0243830093 -0.0058370900 -0.3780657050 -0.3385604420 0.0243280890 0.0644679504 -0.1452303243 0.0004253671 -0.0594357584 -0.0940651482 -0.0019966261 0.0281170255 -0.3985060892 -0.0642983206 -0.0300518486 -0.0800674931 -0.0389958267 -0.0133108453 0.1200002319 -0.0115754644 -0.0384072399 0.1716414307 0.0039443528 -0.1485422729 0.2209685684 -0.0130902003 -0.0676432479 0.0518257742 -0.0998957081 -0.0837247979 0.0040446854 -0.1712131122 -0.3594733228 0.0508329674 -0.2738121811 0.1220529941 -0.0396072300 0.1479579937 -0.0418061721 0.0164011526 0.0045088055 0.0458956451 -0.0649535974 0.2667715916 0.0067744750 -0.0278872021 0.0286357181 0.0512943779 -0.0864349452 0.0145898024 0.0407081938 -0.0772423938 -0.0002498344 -0.0135393515 0.0239301231 -0.0283022182 -0.0187218859 0.0212636294 -0.0227572237 -0.0612425642 -0.0182457810 0.0178919873 0.0195443181 0.0918422492 -0.0316911326 -0.0285665086 0.0617503312 -0.0244519634 -0.0441346905 0.0293243360 -0.0057005691 -0.0067457365 0.2074958724 -0.0889972993 0.0162973904 -0.0282918696 0.0567581921 0.0016739947 -0.0344723122 0.0218940394 -0.0093132834 -0.0472303553 0.0864642871 0.0515678633 -0.0782965781 -0.0395528613 -0.0422041121 0.0977428269 -0.0227697275 -0.0717001931 -0.1274707538 0.0721824725 0.0887411495 0.2212669221 0.1219876162 -0.0054652632 -0.0613095340 0.0160240055 0.1220271458 0.1324029967 0.2346688048 -0.1796025848 -0.0123577049 -0.1846278965 -0.0234066886 0.0054861968 0.0169565345 0.3319636009 0.2114948282 0.1062957456 -0.2047314693 -0.1637075237 -0.0219660345 -0.0406209349 0.0512592566 -0.0037816202 -0.0729703937 -0.0868240492 0.0655692490 0.3026917935 0.1640127829 -0.0688592123 0.0212463796 -0.0678818023 0.0061828932 0.2655746603 -0.0809786001 -0.2324431824 0.0099230178 0.1178452312 -0.0412161258 -0.1443971950 0.1545731926 0.0360968762 -0.0114824045 0.0264748545 -0.0319018364 0.0384122035 -0.0588417150 0.0223556956 0.0409362127 -0.1270447826 0.0161382538 0.0063642739 0.0004884205 0.0005490358 -0.0139582700 0.0053161870 0.0018062015 -0.0014245466 -0.0364517596 -0.0018391295 -0.0131367148 0.0244693459 0.0014506594 -0.0027979902 -0.0011206380 -0.0011952437 -0.0203869234 0.0170553633 -0.0032713433 -0.0086155347 0.0048275112 -0.0018142675 -0.0007853002 -0.0010035962 -0.0042912953 -0.0286408191 0.0070400385 -0.0247218963 0.0197036340 0.0010053091 0.0017547702 0.0071077492 0.0081273570 0.0075252678 -0.0032330831 -0.0007793255 0.0001705543 0.0095050394 0.0116156481 0.0096305871 -0.0121332427 0.0287782292 -0.0106573174 -0.0091609352 0.0254671796 -0.0125716757 -0.0209436205 0.0346339081 -0.0232087923 -0.0196859717 0.0413092411 -0.0260458262 0.0139032911 -0.0303864597 0.0095315835 0.0030206908 -0.0461186062 0.0231098300 0.0291495486 -0.0156508230 0.0130839968 0.0229862231 -0.0387780620 0.0209245921 0.0282405717 -0.0807660158 0.0310493431 0.0180542052 -0.0447228701 0.0174291380 -0.0245349307 0.0305493620 -0.0148928692 -0.0236697692 0.0438687149 0.0052783021 0.0170881939 0.0146925118 -0.0450796941 -0.0197023681 0.0402383981 -0.0084824505 -0.0340396241 -0.0588093934 -0.0873288618 -0.0116261599 -0.2606332480 -0.0252111155 0.1848150411 0.0632814010 0.0119199316 0.0453742940 0.0360096640 0.0769215327 0.2611180650 0.1235155082 0.0947578416 0.2056878642 0.1023535609 0.1585436487 -0.0054873585 -0.0119904544 -0.0639510536 0.0934475558 0.0776170145 0.0120399670 0.1076808830 0.0918975038 -0.0377298342 -0.0607291009 -0.0197489768 -0.0393551200 -0.4014410447 -0.2114258262 0.2052572865 0.0413671026 0.0673695550 0.0399682981 0.0614887549 0.0176943651 0.0240749473 -0.0548577637 -0.0989463396 -0.1180820197 -0.2717568282 0.0629272440 0.1494268946 0.1259371600 -0.1433539129 -0.2845086768 -0.0037899249 0.0152362762 -0.0399214052 0.0001320364 0.0212122939 0.1222063301 -0.0679624742 -0.1382879412 0.1266389830 0.0067967207 0.0189677892 -0.0025034222 -0.0247060336 0.0007034903 0.0087752565 -0.0080486031 -0.0258546563 0.0114373041 -0.0267213173 0.0685548183 0.0057504893 0.0000686713 -0.0186786709 0.0058239547 -0.0504886403 0.0137031840 -0.0149196011 0.0289296947 -0.0171348104 -0.0028660788 0.0018949258 -0.0087568560 0.0043199509 -0.0540710105 0.0087744859 -0.0349945264 0.0570023597 -0.0094071144 0.0375064134 0.0065003092 0.0107688290 -0.0073606696 0.0006488951 -0.0038906208 -0.0000919075 -0.1365368984 -0.1316811884 -0.0402410684 -0.0000921610 -0.0062417746 -0.0029137974 -0.0090696784 0.0213218958 -0.0037831353 0.0067837013 -0.0056342174 0.0166018275 0.0133716004 -0.0137264918 0.0157244529 -0.0018340344 0.0062707582 0.0054289936 0.0203020903 0.0297320937 -0.0168901438 -0.0261446078 -0.0247852436 0.0032892579 -0.0027077755 0.0061644426 -0.0058574902 -0.0066526373 0.0524160639 -0.0182712768 0.0057040256 -0.0085930991 0.0133392839 -0.0018299371 -0.0120657295 0.0089864640 -0.0252885980 0.0433602464 0.0426378613 -0.0430661666 0.0716242892 0.0221034401 0.0350588905 -0.0404045304 -0.0021485872 -0.0367528268 -0.0246068743 0.0055203117 -0.0181503184 -0.0382272844 0.0004525520 0.0033714638 -0.0289797953 -0.0145056881 0.0484588915 0.0310000481 0.0079770817 0.0983464093 0.0538370448 0.0155643068 0.0995933122 0.0506014257 0.0357660942 0.0012680660 0.0015937061 -0.0220939466 0.0186491470 0.0130683377 -0.0168270222 0.0002803369 0.0074456424 -0.0281879242 -0.0303666087 -0.0027082813 0.0018461408 -0.1193349174 -0.0464425604 0.0633221664 -0.0259471274 0.0125437318 0.0262019527 0.0225950860 -0.0046056649 -0.0048212905 0.0027857437 -0.0288861880 -0.0370588558 -0.0395009955 0.0010750258 0.0189553195 0.0369420468 -0.0400910583 -0.0735118049 -0.0037652979 0.0060941733 0.0005424465 -0.0613360921 -0.0250309331 0.0134049907 0.1009639592 0.2088367667 0.0060984984 -0.0317524737 -0.0611681228 0.0103546059 0.0950637601 -0.0007741147 -0.0305937736 0.0283240860 0.1274552337 -0.0407118410 0.1024322765 -0.2584109626 -0.0214064770 0.0054320513 0.0654083629 -0.0225852252 0.1986421656 -0.0541927713 0.0604341718 -0.1019348669 0.0489369794 0.0141182355 -0.0093887078 0.0124236662 -0.0036599209 0.2215853599 -0.0148397092 0.2118352094 -0.1790860943 0.0265449595 -0.1426634226 -0.0345306314 -0.0337407534 0.0067777503 0.0153641712 0.0156469743 -0.0095482907 0.5211810170 0.4941039193 0.0659504955 0.0654427172 -0.0905621813 0.0708642681 0.1098159153 -0.2793032646 0.0923191898 0.0467983242 -0.1081199063 -0.0089279953 0.0045779541 -0.1106271153 0.0218384047 -0.0409672285 0.1216667854 -0.0871614778 -0.1234917551 0.1031207362 -0.0271416304 0.0486587162 0.2743063802 -0.0995615121 -0.0844490914 0.0895411318 -0.0300359149 -0.0844328815 -0.0411844626 0.0042544234 -0.1009823340 0.2445880982 -0.1361492400 0.0738127034 -0.0967404033 0.0229436353 0.1600220732 -0.2926282189 -0.0889730410 0.1656323157 -0.3578069443 0.0178470046 -0.0275769678 0.0005207309 0.0085751157 -0.0503273839 -0.0385820479 0.0192791750 -0.0488171008 -0.0130092316 0.0101165984 -0.2278050226 -0.0396210234 0.1060300615 0.0726843488 0.0449163115 0.0058775348 -0.0017287078 -0.0007147180 -0.0244056218 0.2408414530 0.1408602136 0.0676985822 0.0024297522 0.0177664999 -0.0342068063 -0.0982418692 -0.0725116262 -0.1112349544 0.0881945150 0.0554410345 0.0161462805 -0.0182265262 -0.0319621928 0.0054665786 -0.1163429410 -0.0163788433 0.0487041473 -0.1427217651 -0.0639520155 0.0445373411 0.0178600286 0.0225408375 -0.0074876625 -0.0985449681 -0.0026364720 0.0422756409 -0.0555788057 -0.0417152226 0.0409835305 0.0965014637 -0.1036650715 -0.1036033387 0.0055070366 -0.0105690166 0.0356956325 0.0023059815 0.0428722820 -0.0162471514 -0.0579190520 -0.0084045463 -0.0134894872 0.0012066653 0.0082991631 -0.0017422837 -0.0062365991 -0.0053212432 0.0044888480 -0.0033622526 0.0019926557 0.0082721224 -0.0066158154 0.0255740323 0.0052731694 0.0026214309 -0.0080952600 0.0027411946 -0.0133334790 0.0012118964 -0.0045672115 0.0221078856 -0.0164001661 0.0003407479 0.0001561932 -0.0010111310 0.0011310439 -0.0232959658 0.0008185461 -0.0215688216 0.0101539593 -0.0016180152 0.0089621914 0.0041281436 0.0015244373 -0.0038389720 -0.0034617598 -0.0017565455 0.0036660885 -0.0675565054 -0.0613146299 -0.0031486250 0.0730762980 -0.0613825841 0.0394881965 0.0570538692 -0.2126306410 0.0916169948 -0.0072493487 -0.0018995522 -0.0174999356 0.0245946982 -0.1674234495 0.0633682016 -0.0172657387 0.1171239545 -0.0651005198 -0.0178117870 0.1843378088 -0.0853698738 0.0396871594 0.2425325633 -0.0919020968 -0.0229371848 -0.0576236831 0.0313331154 -0.0363302864 -0.2372646960 0.0910785899 -0.0693288288 -0.1651921736 0.0529501746 -0.0206313976 0.0125425182 -0.0305984593 0.0286384396 -0.0498744450 -0.0244994133 0.0819423601 -0.0948102087 -0.0886084225 -0.0541267047 0.0911859311 0.0194140060 0.1177614393 -0.0056278837 -0.0781423774 0.1517253262 -0.0428705125 -0.0836797264 0.4203610324 -0.0092759611 -0.2318995714 -0.0961547474 -0.0645657696 0.0092718590 -0.0325263848 -0.0345942967 0.0245098509 -0.1558729291 -0.1076208018 -0.0072918980 -0.0318575542 -0.0409103195 0.0385649561 0.0496343463 0.0286000033 0.0992861530 -0.0215248074 -0.0225905716 0.0339067046 0.0578882207 0.0145241991 -0.0541333569 0.1308420512 -0.0323029495 -0.0733335007 0.2311968102 0.0704947450 -0.0866326687 -0.0274903800 0.0198040842 0.0413156823 -0.0085265949 0.0094624205 -0.0013610356 -0.0783279798 0.0739259169 0.0486009674 -0.0585341634 0.0575805131 0.0351774383 0.0048540111 -0.0044751117 -0.0148442788 -0.0426538573 0.0224352260 0.0859610041 0.0151098587 0.0096342861 0.0867702028 -0.0277286526 -0.0143091581 -0.0021404610 0.0626080098 -0.0415637167 -0.0064466413 0.0071761142 0.1345709275 -0.0010449129 0.0596154211 -0.1143712554 0.0017397263 0.0258512044 0.0248982854 0.0008327770 0.1072156765 -0.0383602750 0.0261000671 0.0267556147 -0.0125876178 0.0148989141 -0.0183640674 -0.0223614660 0.0098721699 0.0738293161 0.0227266865 0.1567734598 -0.0635388108 0.0199661532 -0.1404485742 -0.0125691632 0.0011922834 -0.0220705744 -0.0016678241 0.0047945017 0.0071853742 0.0883896769 0.0866651439 -0.0493991950 0.0707055945 -0.0713291923 -0.0059639449 -0.0437070532 -0.0362250115 0.0643027684 -0.0202116181 0.0505495159 0.0624534875 0.1064313758 -0.2754531017 0.1705356102 -0.0217274118 0.1307427462 0.0010875612 0.1669558148 0.2891087099 -0.1802235245 -0.1526479148 0.0415609470 -0.0609052793 -0.0063265894 -0.0878512453 -0.0199593386 -0.1182259328 0.0767807379 0.0090761724 0.0248028085 -0.4332728708 0.2272711957 -0.0171205419 0.0305712434 0.0383658880 -0.1126047907 0.1663373028 0.0593855039 -0.2755197943 0.3815821561 0.1507725488 0.0135423688 -0.0498166275 -0.0153710160 -0.0361132593 -0.0009780387 0.0221333770 -0.0814417646 0.0145956076 0.0412422352 -0.0690962481 0.0003875707 0.0385412943 0.0206073391 0.0231800986 -0.0064362359 0.0574907908 0.0332014622 -0.0116500064 0.0133216233 0.0030525490 0.0069235214 0.0164793563 0.0094986140 -0.0059179468 0.0278826622 0.0248061651 0.0088490170 0.0055176238 0.0137332484 -0.0188679378 -0.0277971236 0.0005561202 0.0141996656 -0.0651413678 -0.0130508771 0.0385260308 -0.0527441643 0.0004382181 0.0334882831 0.0135057745 -0.0127087194 -0.0111659622 0.0254385039 -0.0154750117 -0.0256636122 0.0168329452 -0.0106511796 -0.0137762566 0.0104276871 -0.0097453571 -0.0171490040 0.0024499935 0.0050400144 -0.0215797899 0.0160791877 -0.0087827322 -0.0298958549 -0.0503985488 0.0639458200 -0.0226770799 0.0164059281 0.0122985539 -0.0038640833 -0.0364664073 0.0005760013 0.0081874729 -0.0089320049 -0.0744168365 0.0129873007 -0.0358726482 0.0855296221 0.0061165840 -0.0138125328 -0.0174696586 0.0075127272 -0.0837762796 0.0220165252 -0.0256553105 0.0150360690 0.0026920067 -0.0081691757 0.0122200136 0.0129431529 -0.0099456410 -0.0637984636 -0.0113693762 -0.1173865691 0.0334184903 -0.0139478134 0.0807039675 0.0066830294 -0.0017520814 0.0137791506 0.0021659457 -0.0018229014 -0.0040759014 -0.0603026521 -0.0604502389 0.0261690175 -0.0073893910 0.0034867456 -0.0054060113 -0.0088536248 0.0304213883 -0.0114477794 0.0040876708 -0.0028328191 0.0085099251 0.0037483863 0.0117182382 -0.0002311625 0.0035963269 -0.0081974353 0.0086114810 0.0152411295 -0.0049884736 -0.0005098797 -0.0096150592 -0.0235545788 0.0060456391 0.0006096542 0.0023092783 -0.0060916017 -0.0044942942 0.0397962337 -0.0123851267 0.0044147451 -0.0019019090 -0.0000924508 0.0043892508 0.0005683650 0.0063355863 0.0023188039 -0.0041248511 -0.0027449396 -0.0255143515 0.0255050818 0.0239279054 0.0025894215 -0.0080102302 -0.0023425858 -0.0046384027 0.0011043769 0.0076302514 -0.0489247389 0.0155331420 0.0255758273 -0.0142332667 0.0018868118 0.0120674219 0.0031701097 0.0045484961 -0.0025109735 0.0117343243 0.0068349119 -0.0036718151 0.0011912369 0.0005466653 0.0001460585 0.0048936727 0.0032142297 0.0003784089 0.0120340831 0.0101694678 0.0060698277 0.0100583923 0.0086471399 0.0013826452 -0.0084883537 -0.0009139531 0.0023920244 -0.0241556154 -0.0088601521 0.0133466158 -0.0137154984 0.0014025148 0.0107984097 0.0047575774 -0.0024900771 -0.0020547520 0.0043736285 -0.0058717013 -0.0084286791 -0.0015609200 -0.0013805873 0.0000570747 0.0055983109 -0.0056414048 -0.0102452311 0.0001603824 -0.0008684603 0.0026832405 0.0137678081 -0.0001468539 -0.0123323846 -0.0298403705 -0.0048929562 -0.0088170319 -0.0477382670 0.0307362570 -0.0711652684 0.1371586178 -0.3230558170 0.0236777493 -0.0439295386 0.3293415485 0.1611486726 0.0880454056 0.1028483894 0.1393727105 0.0890613638 -0.0135461626 0.0993808008 0.0092002148 -0.1526382206 -0.0792148651 0.5299458043 -0.1929211375 0.0434997899 -0.0528102651 -0.0278248898 -0.0646678088 -0.2221047241 0.0590558087 -0.1535986123 -0.2818006988 0.0311986981 -0.3743819535 0.0078560308 0.0028090098 0.0082878863 -0.0193358158 0.0107140803 0.0311393743 0.0316711538 0.0485846270 0.0528868179 0.0282788874 0.0033952968 0.0164851071 0.0264529287 -0.1241739104 0.0500807966 -0.0398819596 0.0454961207 -0.0563809357 -0.0323209152 -0.0428422138 -0.0100776331 -0.0244001108 0.0080229624 -0.0312241243 -0.0910435906 -0.0368220400 0.0294454527 0.0403084524 0.0577851701 -0.0028298983 0.0237144985 -0.0098913943 0.0360925009 0.0569518766 -0.2023673975 0.0683622756 -0.0329410464 -0.0074311852 -0.0214614727 -0.0418736548 0.0161001315 -0.0382605178 -0.0468720040 0.0793279097 0.0408371524 0.1406050485 -0.1268582721 -0.1464302107 0.0009405121 0.0537846010 0.0133875951 0.0063157535 -0.0225282738 -0.0037731826 0.0781856228 -0.0019193620 -0.0512860099 0.0936281258 -0.0372840999 -0.0754547873 -0.0510914872 0.0208337103 -0.0115131699 -0.0476302119 -0.0620354281 -0.1393198625 -0.2133258553 -0.1587175307 0.0075551866 0.1323523832 0.0623555739 -0.0232306863 0.1402008328 0.1589281922 0.1183909737 0.0803358738 0.1074173897 -0.1028048119 -0.1313885379 0.0290984289 0.1426770029 -0.1996044401 0.0974525962 0.1543317102 -0.4162861673 -0.0575569733 0.2064118021 0.0442899689 -0.1014238687 -0.0929158217 0.2201244706 -0.0350490440 -0.0962118109 0.2885229966 -0.1098439345 -0.1963341782 -0.0174008905 0.0294549964 0.0927834077 -0.0025977962 -0.0036273029 -0.0024209670 0.0101894308 -0.0045573841 0.0065677923 0.0773950987 -0.1278015510 -0.0039851855 -0.0096147095 -0.0098463624 0.0001616319 0.0206960173 -0.0191274930 -0.0016273695 0.0035941793 0.0380457443 -0.0060767571 0.0202749318 -0.0502760561 -0.0037692854 0.0045136240 0.0154602740 -0.0010429690 0.0213965824 0.0081540594 0.0087094048 -0.0108231478 0.0146710144 0.0035821081 -0.0012918569 -0.0142076397 0.0071589091 0.0277308712 0.0100191579 0.0633777172 0.0032570033 0.0041886611 -0.0437732676 0.0005363202 0.0082205742 -0.0089407777 -0.0011439086 -0.0012858897 0.0023531818 -0.0305940310 -0.0255508108 -0.0234366756 0.0749474914 0.0138814620 0.0104121043 -0.0094914602 -0.2314832069 0.1274834386 -0.1394763193 0.1866285825 -0.1181694415 -0.0527974849 -0.1928205120 0.0344421120 -0.1042770498 0.0050700153 -0.0301751874 -0.1833013185 -0.1431424440 0.0684112097 -0.0692292345 -0.0602660387 0.0478168525 0.0927423747 0.0140591403 0.0334862198 0.1128604497 -0.2172751539 0.0846378929 0.0107515364 -0.0318752278 -0.0157840546 -0.0913090364 0.0012350827 -0.0285769386 -0.2100979330 0.3231007076 0.2073709956 0.1847784228 -0.0920399021 -0.2191990545 0.0904129622 0.0169127869 -0.0018393432 -0.0530564165 0.0171229359 0.0197692940 0.0548737510 -0.0328099786 -0.0177134667 -0.1925994426 0.0521204605 0.1514784282 0.0570835543 0.0195380376 0.0464119088 0.0452504111 0.0381779069 0.0807494204 0.0880730179 0.0690893807 0.0304644816 -0.0498714726 -0.0255791634 -0.0456712796 -0.1819578444 -0.1352072424 -0.1315264222 -0.1460765719 -0.1057545166 -0.0759397759 0.0556805684 0.0116188765 -0.0066543192 0.1347710705 0.0822493081 -0.0752460573 0.0797420400 -0.0196867760 -0.0844775690 -0.0302759259 0.0128849926 0.0034911721 -0.0281962169 0.0443422357 0.0644551891 0.0340330285 -0.0059682022 -0.0165627428 -0.0306691726 0.0280653901 0.0638386560 -0.0169009480 0.0050624397 -0.0156631822 0.0081161396 -0.0418624274 0.0057962085 0.1418402047 -0.1700885331 -0.0139857557 -0.0071455297 -0.0171430709 -0.0155252904 0.0265298356 -0.0944985090 0.0047957953 -0.0073044669 0.0257373395 0.0222959550 0.0208335147 -0.0116707371 0.0215330560 -0.0101900063 0.0249961863 0.0221225478 -0.0790370476 0.0417549580 -0.0275262142 0.0404359264 0.0387052641 0.0032519899 0.0209362166 -0.0139884951 -0.0076364523 0.0019069377 0.0043328161 -0.0102975547 0.0161643852 -0.0095227727 -0.0223061890 -0.0049264984 0.0100506420 -0.0034274238 0.0032516441 -0.0020727465 0.0018473936 -0.0278410837 -0.0086607301 0.0113615487 0.0301385529 0.0059162926 -0.0002218519 -0.0144336358 -0.0804638564 0.0505929163 -0.0594498406 0.0821106602 -0.0430508861 -0.0168511369 -0.0885470381 0.0220420531 -0.0488705470 0.0001208745 -0.0053813546 -0.0702416420 -0.0674626402 0.0286458718 -0.0536336940 -0.0522570195 0.0255795827 0.0408976131 0.0131232727 0.0003990465 0.0402276470 -0.0176255523 0.0095176198 0.0274876579 -0.0053001640 -0.0003940074 -0.0258445718 -0.0100155105 -0.0026397265 -0.0576271763 0.0823752016 0.0707953610 0.0602234138 -0.0240287598 -0.0664972866 0.0285782416 0.0114562832 0.0002200205 0.0052882658 0.0048337106 0.0097222519 -0.0659800569 0.0313435149 0.0365233767 -0.0001565809 -0.0068979320 -0.0085146931 -0.0022748850 -0.0036967968 -0.0160799852 -0.0077919765 -0.0007375825 -0.0090221026 -0.0001546390 0.0041656862 -0.0212165399 0.0009337080 0.0050863139 0.0165192687 0.0378513473 0.0215085549 0.0182339981 0.0320575289 0.0164925760 0.0371803638 -0.0060000728 -0.0094684585 -0.0119142576 -0.0240056678 -0.0361099918 0.0074495443 0.0107194546 0.0076303855 0.0068708968 0.0064999935 0.0075782377 0.0073069977 -0.0190544853 -0.0102941869 -0.0078865520 -0.0407279875 0.0093978191 0.0263839714 0.0169697553 -0.0167915439 -0.0341527407 -0.0047870904 -0.0066821511 0.0060706477 0.0003874272 -0.0028298989 -0.0188356714 -0.0586566139 -0.0000361552 -0.0121584355 0.0290481533 0.1152143466 0.0726690282 -0.1166538700 0.4523970004 -0.0183357956 0.0354035296 -0.0745931643 -0.1142510167 -0.1039474775 0.1048074904 -0.0902184520 0.0989415784 -0.1509493045 -0.1000363863 0.4960469562 -0.3155952577 0.1362025844 -0.0826062213 -0.2767717018 -0.0048442232 -0.1693705582 0.0579147620 0.0007058717 -0.1096794513 0.0089648513 0.0177216520 -0.2214836983 0.0577344028 -0.0355602498 0.0514697700 -0.0285821003 0.0666793238 -0.0085118583 0.0076061866 -0.0230094908 0.1030508303 -0.0070420258 0.0136247576 -0.0395934281 -0.0103281392 0.0079882804 0.0382377955 0.0887360792 -0.0675522756 0.0887841324 -0.1260154809 0.0525443173 0.0182357681 0.1347842137 -0.0407014421 0.0788531961 0.0075131731 -0.0056849928 0.0936902689 0.1243834070 -0.0486029695 0.1171907504 0.1289455308 -0.0511359897 -0.0635135577 -0.0411660423 0.0191068258 -0.0474047882 -0.0474163510 0.0112849237 -0.0572771834 -0.0212502395 0.0116722645 0.0225570530 0.0349557565 -0.0061046465 0.0731478494 -0.0974597528 -0.1033217615 -0.0923850939 0.0588827183 0.0769266789 -0.0433593587 -0.0112418775 -0.0078387018 -0.0438768462 -0.0239764102 -0.0311528268 0.2132913811 -0.1311832189 -0.1244711500 -0.0240782348 0.0429373153 0.0805777854 0.0331317405 0.0409209545 0.1159627427 0.1103354884 0.0392801211 0.0757618425 0.0184938240 -0.0130496052 0.1541384749 -0.0187919126 -0.0417955935 -0.1144497065 -0.2780834029 -0.1619301510 -0.1340880338 -0.2494423722 -0.1339781024 -0.2603098953 0.0499858979 0.0604720964 0.0640496744 0.1665738437 0.2243158975 -0.0586124482 -0.0260552341 -0.0414201520 -0.0667971249 -0.0459077600 -0.0410481524 -0.0401278555 0.1059568966 0.0698008241 0.0587321263 0.2403621432 -0.0518109779 -0.1554240215 -0.1096777716 0.1076565086 0.2144860716 0.0040457543 0.0146600362 -0.0228207690 0.0203363141 0.0000855561 0.0588164981 0.1123395749 -0.1728050193 0.0434328444 0.0074209585 0.0274779832 0.0136985999 -0.0291003643 0.0885102512 -0.0008002023 0.0059131999 -0.0139301783 -0.0169174225 -0.0241258206 0.0335560683 -0.0168023122 0.0233081775 -0.0354109539 -0.0182650602 0.1021336158 -0.0718348724 0.0258344024 0.0008194530 -0.0699208640 0.0005240659 -0.0403195675 0.0138073086 -0.0034027671 -0.0249250596 0.0024863596 0.0041566395 -0.0557278510 0.0157464885 -0.0203198024 0.0096616034 -0.0070597855 0.0143504957 -0.0012684474 0.0025567554 -0.0050279338 0.0653206124 0.0397732747 0.0006423196 -0.0191793701 -0.0039868259 0.0067225603 0.0277814147 0.0347783773 -0.0332152432 0.0462389377 -0.0656163194 0.0218794636 0.0063063125 0.0757063268 -0.0266910162 0.0491977642 0.0050072502 -0.0088759681 0.0540399580 0.0805420143 -0.0324853587 0.0918581120 0.1036021462 -0.0347523883 -0.0292876568 -0.0418781177 0.0331566754 -0.0104951140 -0.1376629994 0.0478666225 -0.0496054544 -0.0631110267 0.0249835320 -0.0164736795 0.0547131321 -0.0130173997 -0.0146293849 0.0414491852 -0.0296378688 -0.0738963777 0.0791750217 0.0258763178 -0.0062569924 -0.0221738578 -0.0177417641 -0.0162823429 0.0671902259 0.0143030078 -0.0762668700 0.0085123303 0.0656127158 -0.2686325022 0.1045295747 0.2017983643 0.0251116367 -0.0407997545 -0.0232667900 -0.1823330845 -0.0666524648 0.0431075504 0.0711469690 0.1045882333 -0.1156820732 -0.0096517980 0.0476284394 0.0181384633 0.0240698359 -0.0110586167 -0.0953968391 0.1022789076 0.0250114398 0.1385913589 -0.0013518039 -0.0453059586 -0.0017510741 -0.0318297011 -0.0117461919 0.0008215804 -0.0732623825 -0.0693476439 0.0113017169 0.0088064817 0.0305620509 0.0007165990 -0.0983777876 0.0084311682 0.0487058400 -0.0546592686 -0.0298321590 0.0441041118 0.0733007616 -0.0709646862 -0.0647798892 -0.0026231850 0.0155699932 -0.0266118892 0.0579421395 -0.0510842664 0.0016087023 0.1340056401 -0.2982748250 -0.0177347455 -0.0484253115 -0.0339562347 0.0221404052 0.0988228780 0.0391115352 -0.0254652135 0.0284065015 0.1839408112 -0.0637989719 0.0891631713 -0.2575307200 -0.0327107114 0.0501836820 0.0560646026 -0.0406853019 0.2395689010 0.0013551661 0.0891287097 -0.1025522522 0.0110624505 0.0186498873 -0.0460980251 -0.0678435547 0.0452726587 0.0500718785 0.0687449775 0.2977588644 0.0384985560 0.0414290875 -0.2221218432 0.0316346622 0.0631437976 -0.0248580823 -0.0141128351 -0.0111518267 0.0064887933 -0.2290554343 -0.2060527551 -0.1075933781 -0.0240324351 0.0033440684 0.0415961806 0.1053355191 -0.0585376863 -0.0278645871 0.0672336996 -0.1175856742 -0.0262037746 -0.0470934419 0.1715392372 -0.1026268240 0.0746475842 -0.0031510958 -0.0619681872 -0.0425038528 0.1113468887 -0.0080814908 0.2523437498 0.2228532157 -0.0464689397 -0.0508951329 -0.0501425866 0.1017091402 0.0718010005 -0.3463206740 0.1039836476 -0.1669818177 0.0134741610 -0.0502802549 -0.0412453652 0.0628145865 -0.0703722797 -0.0338668459 0.0969890792 -0.0218476448 0.0000057798 0.0427638360 -0.0978544958 0.0394410747 -0.0299163586 -0.0014814754 -0.0012589921 0.0447339362 0.0090044851 0.0035915788 0.0133743356 0.0157082181 -0.0911514774 0.0460422348 0.0617308216 0.0117940546 -0.0375455838 -0.0316263544 -0.1574860760 -0.0616393787 0.0181342689 0.0266404736 0.0565269070 -0.1070438186 -0.0040448095 0.0401948632 0.0287803034 0.0689028517 0.0211014059 -0.0472996387 0.0806102773 0.0200051608 0.1219661763 -0.0066000891 -0.0413543417 -0.0074946737 -0.0278676970 -0.0316576860 -0.0000905390 -0.0468984380 -0.0479958816 0.0131833004 0.0113162673 0.0271721114 0.0046162128 -0.0829979430 -0.0007403571 0.0297377127 -0.0640480826 -0.0178500570 0.0484407945 0.0649052978 -0.0609253769 -0.0653618544 -0.0080351598 0.0068444471 0.0095805104 -0.0185739521 -0.0465283548 -0.0039022901 0.0944687882 -0.0386212485 -0.0150325184 0.0428101553 0.0361436375 -0.0149460828 -0.0946424488 -0.0239302349 0.0264470890 -0.0195832958 -0.1520298009 0.0453507098 -0.0809917713 0.2179522019 0.0174172705 -0.0372994068 -0.0543963563 0.0304450690 -0.1724954474 -0.0224671112 -0.0678471302 0.0863596618 -0.0255346586 -0.0146150737 0.0307907102 0.0620931722 -0.0401057815 -0.0339817685 -0.0584559577 -0.2412098866 -0.0541067320 -0.0269517120 0.1689997746 -0.0313105684 -0.0555502926 0.0256750147 0.0112089138 0.0112865689 -0.0064134147 0.2972439108 0.2706641376 0.1001383324 -0.0170912560 0.0047069519 0.0262452673 0.0670018654 -0.0365466915 -0.0186240739 0.0409552230 -0.0732240552 -0.0192560874 -0.0330088779 0.1134390192 -0.0682906422 0.0471185006 -0.0075480178 -0.0399070601 -0.0355794906 0.0562644692 0.0026409862 0.1641443291 0.1307033354 -0.0230054916 -0.0300299819 -0.0244320129 0.0674166983 0.0564110957 -0.2395533914 0.0698224693 -0.1124886432 -0.0037984376 -0.0269264071 -0.0272850406 0.0450543348 -0.0560569163 -0.0242848304 0.0657782856 -0.0293927073 0.0184841694 0.0007958759 -0.0823906867 0.0104852825 -0.0065435999 -0.0005651237 -0.0439653518 -0.0753164378 0.0987169828 -0.2516539618 0.1598990017 0.1231789432 0.0148744522 -0.1735881564 -0.1095920526 0.0043939411 0.1135389252 -0.0246522605 0.3993326859 0.1930958405 -0.1084877967 -0.0815685934 -0.1422354360 0.1404597687 0.0011528290 -0.0835639678 0.0221245810 -0.0036295104 0.0248960017 0.1900507621 -0.1279538698 -0.0200011783 -0.1436737932 -0.0114287635 0.0549196344 -0.0579633139 0.0042649658 -0.1188611030 -0.0002940140 0.2201187956 0.1779149093 -0.0148464234 0.0048344052 -0.0239063470 0.0337720835 0.1012242232 -0.0540858056 -0.1176322390 -0.0652590586 0.1032454940 0.0274155592 -0.0793454533 0.0734834782 -0.0156552656 0.0014831164 -0.0183119884 0.0576747490 0.0513584591 0.0004129162 -0.1233082958 -0.1240800608 0.1698680654 -0.1043473532 -0.0150547803 -0.0107145895 0.0081756236 0.0286616529 0.0093624278 -0.0056546776 0.0100968775 0.0543892544 -0.0251088271 0.0244922883 -0.0825602554 -0.0143105005 0.0141277865 0.0189825749 -0.0141832389 0.0608709557 0.0183785568 0.0274820003 -0.0398686638 0.0107413859 0.0038192034 -0.0078975987 -0.0217863070 0.0171617119 -0.0123710471 0.0213404959 0.0571245524 0.0328805840 0.0074853415 -0.0433329619 0.0121873644 0.0217790051 -0.0067526584 -0.0034490081 -0.0064439553 0.0016368785 -0.1370524970 -0.1202085081 -0.0198174700 -0.0058077315 -0.0141290738 -0.0291420941 -0.0546977427 0.0966675503 -0.0235972089 0.0076118439 0.0079233931 0.0622788000 0.0604904400 -0.0462128731 0.0578144414 0.0071086140 0.0202654979 0.0426811330 0.0998655571 -0.0455555382 -0.0061239899 -0.0906759935 -0.0098408444 -0.0272950412 -0.0050931966 -0.0115524546 -0.0533637970 -0.1087620305 0.0236962854 0.0096793755 0.0770315574 -0.0533114372 0.0494386491 0.0068188382 0.0138629043 0.0239269088 0.0346030869 -0.0697655744 -0.0393763085 0.1255415751 -0.2247294420 -0.0096144109 -0.0690562639 0.0888673762 0.0296852386 -0.0201695033 -0.0168182911 0.0818901603 0.0850837709 0.0981106090 -0.0164415371 -0.1646334858 -0.0951231693 0.0270526968 0.0177833263 0.0537136797 -0.0494344941 -0.0127561936 -0.0072215460 -0.1244591235 -0.0692753399 -0.0781244116 -0.0046696440 0.0106195594 -0.0300547286 0.0470085897 -0.0226818368 -0.0156447203 0.0886503549 -0.0318774259 0.0075887327 -0.0210610462 -0.0264304249 0.0190103638 -0.0476442816 0.0373721260 -0.1132739782 -0.0296247230 0.0603443037 0.1061301544 0.0452898412 0.0182922039 -0.0085828724 0.0314436215 0.0395951271 -0.0571739338 -0.0908035065 -0.0867106973 0.0753698479 0.0516911829 -0.0232910373 0.0220434669 -0.0619530559 0.0067338442 0.0071736638 -0.0556020420 0.0179245042 -0.0486965761 0.0090229790 0.4826704411 -0.5896324140 -0.0560934891 0.0169039384 0.0119302356 -0.0057769383 -0.0399817592 -0.0087592028 0.0101862956 -0.0072418528 -0.0560195976 0.0201074965 -0.0259778844 0.0675829355 -0.0013557516 -0.0185289891 -0.0196154573 0.0099064934 -0.0385876484 -0.0351716145 -0.0197209276 0.0140217905 -0.0015355475 -0.0057318274 0.0109468145 0.0204020063 -0.0078231613 0.0701758212 -0.0288850931 0.0014151317 -0.0583388829 0.0024799771 0.0033878686 -0.0125565189 -0.0207519904 -0.0020109864 -0.0004764265 0.0057277190 0.0017066329 0.1519360137 0.1348162605 0.0093443722 0.0068605512 0.0089989123 0.0155985265 0.0264017722 -0.0569166662 0.0184411041 -0.0101530527 0.0050237764 -0.0391157695 -0.0358766794 0.0134909061 -0.0286365853 -0.0111446444 -0.0120511369 -0.0212766856 -0.0540379809 0.0417196499 -0.0056521671 0.0328591159 -0.0133881605 0.0197553973 0.0092819177 0.0023337560 0.0214632108 0.0608276108 0.0464110289 -0.0270690860 -0.0212557599 0.0219214210 -0.0194399847 0.0016676871 -0.0080682147 -0.0053624709 0.0206096712 -0.0207992550 0.0109953037 -0.0867868055 0.1382753227 0.0269847426 0.0156483724 -0.0344950359 -0.0054695552 0.0346198560 0.0312176070 -0.0380196370 0.0692963956 -0.0287362183 -0.0348022901 -0.2364098419 0.0536186523 0.1384922702 -0.0152901602 -0.0036036741 -0.0149257938 -0.3158329149 -0.1941485078 -0.1392650334 0.2530494228 0.1380180706 0.0920142151 0.0351715578 -0.0804841496 0.0221214916 -0.3535639838 -0.2018258021 0.0867894973 0.2603107172 0.2295411135 -0.0048025523 -0.0228777254 0.1111686817 -0.0559885781 0.0258795855 -0.1143179312 0.0048686158 -0.0792429229 0.2147564165 0.1778442982 0.0065278947 -0.0747056582 0.0487841319 0.2280862881 -0.0984875853 -0.2013282893 -0.0103818213 0.1793709834 -0.0132421085 -0.1575491946 0.1201625471 -0.0345067343 -0.0030313216 0.0061521079 -0.0040256022 -0.0184405650 0.0075089428 0.0325479285 -0.0653807463 0.0449288245 0.0398918275 -0.0004895189 -0.0011015491 -0.0004751354 0.0030899153 0.0021338363 -0.0020907929 -0.0003366800 0.0014627648 0.0012264657 0.0017701572 0.0011624990 0.0040601807 0.0005044102 0.0010678573 0.0002868923 0.0027111038 -0.0025583118 -0.0003029148 0.0026212066 -0.0025158691 0.0009427901 -0.0021146164 -0.0009618464 -0.0012388073 0.0027011712 0.0014891144 0.0076536758 -0.0006325943 0.0005029874 -0.0046895786 0.0018735712 0.0023318387 0.0010741068 -0.0001405453 -0.0002243817 -0.0002869183 -0.0101219526 -0.0089860671 0.0039088067 0.0370361628 0.0383597097 0.0518275976 0.0786719991 -0.2191823371 0.0854713241 -0.0564085983 0.0510044679 -0.1573245317 -0.1377173143 0.0028025707 -0.0906555148 -0.0642537668 -0.0499301710 -0.0708285190 -0.1986297742 0.1648867070 -0.0372583027 0.0850429979 -0.0686963853 0.0779753304 0.0619483926 -0.0041156064 0.0597049955 0.2391274254 0.2920135260 -0.1466487192 -0.0131624467 0.0220527761 -0.0327517347 0.0009602445 -0.0018862118 -0.0151012523 0.2596415863 -0.3707250041 -0.0713625289 -0.2631311296 0.4432584653 0.0730783621 -0.0649511038 0.0027709304 0.0042436612 -0.0127971996 -0.0171989550 0.0205169925 0.0871067492 0.0111803284 -0.0418670889 -0.0363244671 -0.0376924588 -0.0003551981 0.0112146843 0.0231656518 -0.0080655820 0.0417089238 0.0252407033 -0.0221695754 -0.1244892656 -0.0831507584 -0.0302338892 -0.0003757294 0.0135348154 0.0112280709 0.0734126211 0.0382034812 -0.0005481480 -0.1033957342 -0.0695155570 -0.0215985632 -0.0057814749 -0.0230623411 -0.0024994307 0.0232818383 -0.0109879617 -0.0222246295 0.0246936945 -0.0202263730 -0.0199738766 0.0067197486 0.0155800699 -0.0004220313 -0.0442645303 0.0014348784 0.0156941080 -0.0316687955 -0.0183315864 0.0244972021 0.0318395429 -0.0212240892 -0.0130592066 0.0077112946 0.0052210714 -0.0144025209 0.0171346455 -0.0031677595 0.0058709433 0.1269508002 -0.1527546476 -0.0104110296 0.0036531375 -0.0038967429 -0.0025406441 -0.0056307847 0.0099252123 -0.0052919241 -0.0007918125 -0.0041926051 0.0116054394 -0.0040053004 0.0185133234 0.0091804602 -0.0081605488 -0.0001339566 0.0016799670 -0.0030592367 -0.0132418868 -0.0035506009 0.0038435720 -0.0043117542 -0.0000804462 0.0047759685 0.0021803357 0.0023275700 0.0395773811 -0.0106967331 0.0269881090 -0.0206276745 0.0068475004 -0.0266240032 0.0008984791 -0.0019651785 -0.0078948553 -0.0049652459 0.0015355859 0.0044461223 0.0274502253 0.0266082054 -0.0083923628 -0.0115668648 -0.0019722437 0.0075315573 0.0212805391 0.0074528034 -0.0162296586 0.0170536564 -0.0327696948 0.0035105125 -0.0018558893 0.0409238491 -0.0142844656 0.0195300585 0.0025384903 -0.0073289998 0.0001332345 0.0140275190 0.0030322857 0.0178134007 -0.0359444673 0.0151217302 -0.0221885068 0.0126546256 -0.0043057825 -0.0281982050 -0.0168091239 0.0064731115 -0.0410416843 -0.0394614044 0.0120085129 0.0140678662 -0.0242611120 0.0032883610 -0.1156053650 0.1798974003 0.0606472638 0.0044173098 -0.0350348256 0.0174900766 0.0385273445 -0.0365067867 -0.0099272415 -0.0232008740 -0.0335118195 -0.0238362883 0.5287024012 -0.0890473005 -0.2933983106 -0.2111118409 -0.0285063785 0.0842468602 0.0338286923 0.0587244656 -0.0144524723 -0.1248410021 -0.0801931043 -0.1442119757 -0.3456197624 -0.2123933379 -0.1043416827 0.0266695431 0.0302379314 0.0456413289 0.0450694549 0.0098603544 -0.0074662886 -0.2743432932 -0.1661380066 -0.0858767139 -0.0356636437 -0.0329569189 -0.0369392660 0.1630945773 -0.0985401278 -0.1155133049 -0.0498564319 0.0133823820 0.0644637145 0.0341342449 0.0165303300 0.0291358545 -0.0462632389 -0.0580464450 -0.0560465408 -0.1371877078 0.0358473021 0.0948339655 0.0327142327 -0.0112547896 -0.0753309780 -0.0045648299 0.0034467216 0.0051624325 -0.0167607475 0.0445067504 0.0475556532 -0.0934862211 0.1452137122 0.0598737656 -0.0093965544 -0.0030498980 0.0026967344 0.0230781810 0.0056007891 -0.0051624367 0.0011178677 0.0260830343 -0.0078499889 0.0152678032 -0.0291049484 0.0055268481 0.0170445046 0.0062508799 -0.0021894603 0.0103634459 0.0242564488 0.0057687218 0.0095979814 -0.0084540877 0.0052939776 -0.0208493972 -0.0076313683 -0.0076520350 -0.0439142848 0.0129820327 -0.0072403801 0.0523021269 -0.0019168075 0.0178320893 0.0079106095 0.0120940228 0.0113729122 0.0064093435 -0.0051877427 -0.0072083441 -0.0781374091 -0.0639830126 0.0259910253 0.0296032350 -0.0220200523 -0.0725327804 -0.1598933044 0.1190032927 0.0173172340 -0.0479311434 0.1281549322 0.1004071336 0.1080750059 -0.1745288820 0.1164897143 -0.0430177918 0.0146106550 0.0772328749 0.1289644828 -0.2227311306 0.0291030247 -0.0694769562 0.3677819553 -0.1700603768 0.0264424716 -0.0410004088 0.0334375540 0.0180129813 -0.1897914800 0.0879873223 0.1089790124 0.4358215636 -0.1792251304 -0.0251323909 0.0357524632 -0.0315688502 0.1508298746 -0.2266258538 -0.0979758557 -0.0681109664 0.1744167796 -0.0383471345 -0.0031701881 -0.0342121591 -0.0211125094 -0.0044589894 -0.0014426076 -0.0135209008 0.0604104419 -0.0360182095 -0.0364297016 -0.0865937452 0.0063459485 0.0410213675 0.0057502503 0.0110882327 0.0034926997 -0.0160991401 -0.0113448942 -0.0196525718 -0.0743316298 -0.0431334484 -0.0174871046 0.0069997213 0.0090459007 0.0058931358 -0.0070559216 -0.0085048138 -0.0150791716 -0.0576101957 -0.0346136456 -0.0211877584 -0.0059822831 -0.0052566638 -0.0072128602 0.0364714281 -0.0174529758 -0.0249392200 -0.0275191004 0.0007926780 0.0217871525 0.0069209413 0.0013246932 0.0062279874 -0.0056064913 -0.0129100166 -0.0128237243 -0.0273193610 0.0103131419 0.0181011907 0.0021502663 0.0018934836 -0.0125242153 0.0002101281 0.0015607894 0.0229150252 0.0191072022 -0.0026588648 0.0027687367 -0.0980907310 0.1113687737 0.0184963386 0.0262741336 0.0143663305 -0.0196786697 -0.0632899099 -0.0601386852 0.0186306058 -0.0131612615 -0.0712521136 0.0440821199 -0.0305383370 0.1018797819 -0.0001369091 -0.0352592510 -0.0160695373 0.0177511916 0.0324256757 -0.1525517618 -0.0229612820 -0.0280828802 0.0493152213 -0.0084846028 0.0149293068 0.0023674955 0.0056809196 0.1928246462 -0.0288707705 0.1658202255 -0.1348336059 0.0165527443 -0.1240973541 0.0063612971 0.0133711176 -0.0138999161 -0.0065162870 0.0005362113 0.0070978396 -0.0255642586 -0.0195834327 -0.0321800967 0.0148994603 -0.0080362584 -0.0296677702 -0.0672855909 0.0419197268 0.0121147761 -0.0231112063 0.0588978486 0.0387021801 0.0421008582 -0.0780396631 0.0488358310 -0.0223856860 0.0062049107 0.0326285583 0.0499572621 -0.0816307577 0.0087783682 -0.0377757436 0.1445818148 -0.0684486045 0.0153934922 -0.0195306671 0.0137250539 0.0192337201 -0.0769821521 0.0290455561 0.0677268019 0.2008411896 -0.0716177736 -0.0118480730 0.0161888829 -0.0168176974 0.0997614351 -0.1443461567 -0.0475721267 -0.0346253357 0.0780354883 -0.0176758664 -0.0104893413 -0.0003190823 0.0000482887 -0.0037329693 -0.0010397075 0.0040722564 -0.0054508711 0.0146015653 0.0003542514 0.0390964679 0.0074533575 -0.0002322824 0.0048182636 0.0005894795 0.0019217832 -0.0301462619 -0.0155269996 -0.0037558033 -0.0023532222 -0.0035500196 -0.0015171373 0.0031608017 0.0026386115 0.0017201284 -0.0110847605 -0.0106623105 -0.0097262601 -0.0189641007 -0.0092202165 -0.0102038450 -0.0034098835 0.0002881580 -0.0050544820 0.0296767909 -0.0114591996 -0.0177174770 -0.0265829850 0.0038692154 0.0202699225 0.0038064126 -0.0014939893 0.0057642578 0.0045094613 -0.0106491741 -0.0139185832 -0.0145426561 0.0121675612 0.0098109496 -0.0034321880 0.0036556164 -0.0105887250 0.0014487904 0.0006921122 0.0041294774 -0.0035627615 -0.0049177840 -0.0002260155 0.0439428326 -0.0459592928 -0.0054236678 -0.0547288938 -0.0308998283 0.0539894367 0.1158629681 0.1463991824 -0.0304597226 0.0407906844 0.1651615419 -0.1123254254 0.0485553184 -0.2429305035 -0.0291198285 0.0721620851 0.0339847072 -0.0444989705 -0.1116178000 0.3859047162 0.0519785198 0.1032168170 -0.1694909823 0.0222103873 -0.0222452244 -0.0018935046 -0.0071125145 -0.4101776358 0.0474903933 -0.3754704780 0.2760032423 -0.0255154472 0.2368910641 -0.0160334879 -0.0362271754 0.0161981250 0.0060070796 0.0027164516 -0.0056829618 0.1055492236 0.0903035419 0.0536382484 0.0020091255 -0.0023279131 -0.0048338024 -0.0117531320 0.0111074242 0.0006455363 -0.0048090368 0.0101491647 0.0073754523 0.0074341253 -0.0079979442 0.0052121667 -0.0017780892 -0.0003637172 0.0050676582 0.0115428973 -0.0138583096 0.0002641106 0.0038082960 0.0405105693 -0.0157093152 -0.0039765399 -0.0019439692 0.0061781432 0.0038456144 -0.0098052856 0.0030275864 -0.0015379920 0.0520675545 -0.0235458548 0.0058771650 -0.0080669250 -0.0047802668 -0.0206733978 0.0394520100 0.0151559925 -0.0276370303 0.0325587628 0.0118020646 0.0114978742 -0.0184294161 -0.0023314641 0.0234281684 -0.0054441289 0.0012734953 0.2432089689 0.0206161341 -0.1230498090 -0.2924794384 -0.0243096123 0.1245947738 -0.0307394406 0.0431461253 -0.0454955002 -0.0769927033 -0.0503953638 -0.1603356217 0.1245679274 0.0284426152 0.1105783910 -0.0079636635 -0.0757292533 0.0178014522 0.1946223543 0.1547319022 0.2550801334 0.0935859504 0.0684494249 0.0034808959 0.0159820234 -0.0014387024 0.0403757067 -0.3609918894 0.0521052144 0.2174381980 0.4629684449 0.0038841890 -0.2992273005 -0.0408721589 0.0257453595 -0.0590745838 -0.0534980767 0.1111263247 0.1330595047 0.1455542237 -0.1432746767 -0.0933628402 0.0580931484 -0.0599343489 0.0928617010 -0.0022548297 0.0040367689 -0.0029063764 -0.0132725142 0.0136048590 0.0259364837 0.0042755891 -0.0115966944 0.0244209688 -0.0028325366 -0.0012915370 0.0057593938 0.0063198748 0.0184437042 -0.0021550063 0.0032763909 0.0062156012 -0.0092238498 0.0016249716 -0.0160605541 -0.0026640817 0.0043122880 0.0008169567 -0.0026576104 -0.0202503463 0.0334999076 0.0001689845 0.0259473030 -0.0344241871 0.0041213716 -0.0056633765 0.0002654083 -0.0050227384 -0.0054176061 -0.0007266344 -0.0051637387 0.0097185664 0.0008851257 0.0017604754 0.0005128824 0.0021433311 0.0032756254 0.0025312428 -0.0015214838 -0.0021469061 -0.0110463417 -0.0027503290 0.0241981839 0.0049277072 -0.0004472957 -0.0037911704 -0.0118121860 0.0053799794 0.0052002498 -0.0100035688 0.0166818512 -0.0008953584 0.0014727141 -0.0125714430 0.0023635815 -0.0056960466 -0.0044156834 0.0042025560 0.0073191369 0.0007934447 -0.0060804852 0.0064703374 0.0481837262 -0.0183140139 -0.0000205478 -0.0071576296 0.0058730068 0.0063752035 0.0266679046 -0.0072995022 -0.0018026541 0.0425730338 -0.0263483725 0.0032549920 -0.0000061345 -0.0034876073 0.0073314219 -0.0077046163 -0.0100626175 -0.0067814867 0.0112941792 0.0007384787 -0.0042365519 0.0021124835 0.0038498146 -0.0007198737 -0.0005633880 0.0049550053 -0.0038980651 0.0160123458 0.0016700561 0.0235638768 0.0011982010 -0.0033804197 -0.0008029401 0.0002852241 -0.0021424105 -0.0115628320 -0.0056457079 -0.0051040756 0.0211358777 0.0090203098 0.0092924967 -0.0006403638 -0.0041953009 0.0000547493 0.0099489957 0.0070905156 0.0118378631 0.0061812171 0.0053036258 -0.0008636684 0.0006568067 0.0005681612 0.0015076164 -0.0103171861 0.0017397112 0.0069383482 0.0151254180 0.0003339792 -0.0101274079 -0.0017139227 0.0006257213 -0.0016428348 -0.0001979306 0.0035671522 0.0034597691 0.0061606027 -0.0041704966 -0.0036882755 0.0015882555 -0.0023815416 0.0021123869 0.0011681490 0.0005461172 -0.0023019710 -0.0052217473 0.0006686067 -0.0017676657 0.0261285299 -0.0411536623 -0.0059756722 -0.0151211815 0.0022828420 -0.0802654764 0.0561654880 -0.2590524916 -0.0037809541 -0.0575061977 0.0466379376 0.1210154141 0.0858237225 0.0945919882 0.1095430796 0.0474912041 0.0198976091 0.0473475179 0.3075187853 -0.3273616893 0.0146815166 -0.2853774229 0.4924051279 -0.0294145945 -0.0791638487 -0.0031209328 -0.0237920634 -0.1502817335 0.0516025078 -0.0345269868 0.3835790345 -0.0462584779 0.3779854970 0.0057021662 -0.0196430252 0.0299962311 0.0079731876 -0.0023681808 -0.0172016354 0.0434426990 0.0102236255 0.0360129994 -0.0225125641 -0.0078245690 -0.0131222450 0.0100378401 0.0084174465 -0.0356953553 0.0609902526 -0.0733800337 0.0525550276 0.0498493705 -0.0161956149 0.0548721203 0.0182877771 0.0363666197 -0.0244395073 -0.0851601665 -0.3047654140 0.1479677418 0.0067386635 -0.0252623904 0.0051392787 0.0189108721 0.0416568530 0.0047953522 0.0370388163 -0.0747240220 0.0272470079 -0.0685398162 -0.2211028353 0.0850702692 -0.0147694928 -0.0045234743 0.0035036120 0.0856158192 -0.1213444468 0.0244507802 -0.0431720273 0.0665492669 0.0113163276 -0.0071087339 0.0025435827 0.0071062452 0.0268155509 0.0145925041 -0.0313023232 -0.2461564841 0.0176902064 0.1123502827 -0.0362270595 0.0613884259 0.0721020965 -0.0321272637 0.0384788730 0.0277636567 -0.2765874123 -0.1681939472 -0.1521633106 0.2585316885 0.1033482293 0.2374602672 0.0348435433 -0.0229775946 -0.0179214243 0.2541105553 0.1744105179 0.1465761649 -0.3394939860 -0.1847111702 -0.2487116814 -0.0148549700 -0.0268713065 0.0082278538 0.2031661098 -0.0185222074 -0.1092828623 -0.0445835884 -0.0542350402 -0.0090455692 0.0101405586 0.0165986490 0.0151825872 -0.0298709757 -0.0243535599 -0.0295408091 -0.0363988855 -0.0086250766 0.0418727550 0.0334773197 -0.0328849736 -0.0579945929 0.0004415228 0.0016472144 -0.0085229742 0.0009924872 -0.0173037742 -0.0004675145 -0.0074973660 0.0222711109 0.0041603365 0.0013900593 -0.0001987712 -0.0022193351 -0.0020476198 -0.0065374891 0.0004426819 -0.0003822627 -0.0026305217 0.0020867645 -0.0015995427 0.0080523495 0.0021351189 -0.0032958417 0.0010706980 0.0000089209 0.0128315659 -0.0155452699 0.0016041205 -0.0121003606 0.0136323726 -0.0020344833 0.0061120167 0.0000426787 0.0042093877 -0.0101143684 0.0039419828 -0.0094008575 -0.0076945799 -0.0023839131 0.0040483355 -0.0014956629 -0.0043667580 -0.0039838942 -0.0030258639 0.0022030212 0.0027260264 0.0223010268 0.0134484172 -0.0177937874 0.0234744817 0.0194909015 0.0367481364 0.0273269163 -0.0634936880 0.0538470124 -0.0627314509 0.0674006600 -0.0800154520 -0.0908187727 0.0586014669 -0.0902716921 -0.0195449246 -0.0312014428 0.0386335343 0.1450072123 0.5749124260 -0.2562404902 -0.1076033065 -0.2498588052 0.0980196786 -0.0075423887 -0.0611892562 -0.0380058225 -0.1344973483 -0.0842088446 0.0542788681 0.1739623362 0.3585006556 -0.1279447237 -0.0048051476 0.0282345288 0.0007602845 -0.0427795818 0.0214340702 -0.0873963543 0.1110966918 -0.1126745576 -0.0632282476 0.0082292816 -0.0001480643 -0.0003517292 0.0165184145 0.0079083029 -0.0187919204 -0.1346414904 0.0060092073 0.0617473957 -0.0376779857 0.0328231894 0.0462144164 -0.0174542229 0.0203015646 0.0152135106 -0.1361891692 -0.0846903767 -0.0790661972 0.1251413822 0.0508426858 0.1196757775 0.0181471237 -0.0108472578 -0.0092181143 0.1297763018 0.0894709149 0.0738981384 -0.1778046323 -0.0976331046 -0.1283283259 -0.0074264754 -0.0141929739 0.0041604420 0.1046914341 -0.0094351783 -0.0565692035 -0.0247290785 -0.0287305615 -0.0038696589 0.0054304240 0.0086315917 0.0077512654 -0.0162534239 -0.0125529262 -0.0146210657 -0.0196131636 -0.0044220920 0.0219627797 0.0172125842 -0.0165872768 -0.0294466278 -0.0013581196 0.0000283910 0.0035504301 0.0012832034 -0.0120851325 -0.0015545922 -0.0213052607 0.0346168325 0.0033959801 0.0021146170 0.0029584299 0.0002117486 -0.0116665644 -0.0136224350 0.0075968286 0.0008237770 -0.0033629900 -0.0001406320 -0.0049760028 -0.0046651494 -0.0140022024 -0.0022819860 -0.0008886220 -0.0002939539 0.0041677922 -0.0064707486 0.0009779638 -0.0033304113 0.0027174094 -0.0011001988 0.0041899046 -0.0002811139 0.0029795520 -0.0003960094 0.0000486150 -0.0016751162 -0.0126493449 0.0008811439 -0.0097184064 -0.0016459257 0.0001423147 -0.0014814486 -0.0003166116 0.0002180506 0.0009191559 0.0045402484 0.0042111469 -0.0066214698 -0.0373182399 0.0045740670 0.0155317628 0.0774468602 -0.0805726188 -0.0297067366 0.1028541100 -0.1321050147 0.0577733955 0.0260444145 0.0461519483 0.0408122209 0.0303127473 0.0797719952 -0.0092963860 -0.0242653477 -0.0422778039 0.0631421014 -0.1887657983 -0.5362088766 0.1875328324 0.0467365057 0.0319776016 -0.0411417650 -0.1152310624 -0.4763676676 0.2186303037 0.0805070475 0.0042779950 0.0091179352 -0.0450297910 0.0112157587 -0.0029767643 0.1902645425 -0.3215009796 -0.0502747874 -0.0324162418 0.1431681111 -0.0489107308 -0.0066972318 -0.0143775548 0.0012914699 -0.0041818868 -0.0035376034 -0.0048155776 0.0404737353 -0.0267319463 -0.0208082542 -0.0505630151 -0.0052008031 0.0197403119 0.0185977213 -0.0011894775 -0.0019637792 0.0361807480 0.0229094589 0.0250977137 -0.1359025195 -0.0686097497 -0.0802742687 -0.0016108050 0.0089545704 0.0142261560 -0.1103489775 -0.0772257097 -0.0496285059 0.0686946885 0.0350992077 0.0614034436 0.0056046382 0.0075339016 -0.0056477448 -0.1229448948 -0.0066296232 0.0663333876 0.0562601700 0.0219889202 -0.0206913359 -0.0043035993 -0.0036291077 -0.0109584369 -0.0022253942 0.0167484532 0.0265576023 0.0091302424 -0.0066285429 -0.0158420962 -0.0092923090 0.0137113852 0.0342255736 -0.0001301236 0.0025670838 -0.0007614069 0.0125013584 -0.0075523901 0.0031839830 -0.0523899249 0.0634687322 0.0136367643 0.0009201828 0.0053376249 -0.0036053816 -0.0093781544 -0.0395578692 0.0129800536 -0.0023497927 -0.0040367746 0.0024600383 0.0008035130 -0.0054706528 -0.0121511883 0.0017998296 0.0012174065 0.0031330209 0.0205058943 -0.0204860271 0.0028645576 -0.0092852069 0.0243385442 -0.0017510692 -0.0053326724 0.0011177806 -0.0015926345 -0.0064151495 -0.0004775117 -0.0038063243 0.0332742963 -0.0019813491 0.0299605775 0.0018104070 -0.0056319566 -0.0035590584 -0.0032843412 0.0016281143 0.0028824699 0.0191002088 0.0150221466 0.0017172718 0.0072518075 0.0003194115 -0.0007222617 -0.0110018901 0.0139488291 0.0059001020 -0.0192206225 0.0218019638 -0.0190365237 -0.0114186210 -0.0085035514 -0.0117935551 -0.0062052868 -0.0172526070 -0.0010373082 -0.0027813898 0.0136180512 -0.0130719744 0.0375152139 0.0923210980 -0.0320099748 -0.0036207088 -0.0064461946 -0.0003276322 0.0192734868 0.1214648187 -0.0531929150 -0.0097339414 -0.0757039113 0.0350035452 -0.0051857223 0.0182893763 0.0121460732 -0.0004224077 -0.0131153665 -0.0251903183 0.0711987794 -0.1012821918 -0.0172082868 -0.0054107952 0.0166433369 0.0056938934 0.0110061756 0.0014390252 -0.0470425639 -0.3428073164 -0.0765109403 0.1635710912 0.0407772964 0.0345588631 0.0039649766 0.0640718974 0.0316514729 0.0443432651 -0.3170876030 -0.1792697564 -0.0669660299 -0.2720548766 -0.1709996126 -0.0708151216 0.0615442743 0.0294263373 0.0563350905 -0.2981193672 -0.2164264282 -0.0913835801 -0.2100099390 -0.1409069653 -0.0676037181 0.0125348252 0.0029790065 -0.0305544394 -0.3912860209 -0.0951082315 0.2133174281 0.1888626877 0.0376858109 -0.0990572695 -0.0029935118 -0.0014970926 -0.0354913210 -0.0643556490 0.0488000856 0.1106693926 -0.0377599187 -0.0251292919 -0.0128467584 -0.0225679675 0.0537503609 0.1072839741 0.0013424869 -0.0015155583 -0.0031774610 0.0088120510 -0.0225560183 -0.0042743442 -0.0450914053 0.0690560557 0.0085760553 -0.0009071494 -0.0033159518 -0.0022861459 0.0014325302 0.0096771342 -0.0068054901 0.0007586030 0.0158372747 0.0046537531 -0.0028540604 0.0135896484 0.0095583937 0.0018222914 -0.0045179732 -0.0017491781 -0.0041054549 0.0067327692 0.0011925461 -0.0391530463 0.0354279005 -0.0052004464 0.0133144234 0.0003669178 0.0101229652 -0.0330952543 0.0085624858 -0.0320965402 -0.0309559553 -0.0029464350 -0.0057538661 -0.0025416489 -0.0092167854 -0.0027003566 -0.0056258274 0.0058224503 0.0040767013 0.0464298975 0.0083521516 -0.0771705159 0.0010260946 -0.0010433061 -0.0007292282 -0.0041118103 0.0038748656 0.0012816931 -0.0034191098 0.0048402733 0.0016683085 0.0005373587 0.0009402631 -0.0020013215 -0.0008148676 -0.0007628503 0.0012408421 0.0009956833 -0.0004919440 0.0001034952 0.0006897288 0.0110571382 -0.0047520950 -0.0024134458 0.0021140685 0.0029139790 0.0111052008 -0.0131699530 -0.0021665626 0.0050533237 0.0268010723 -0.0054146690 0.0075846857 -0.0090696906 -0.0086555874 0.0009214810 0.0223112090 0.0291615671 -0.0376747034 0.0175909708 0.0205605867 -0.0059816795 0.0017206743 0.0094528327 -0.0071685925 0.0041601161 0.0027948273 -0.0533261254 -0.0084071863 0.0315831404 0.0907428612 0.0003479551 -0.0530754304 0.0086560993 -0.0002473253 0.0056597244 -0.0713208651 -0.0362608121 -0.0056497994 0.0089878654 -0.0004409072 0.0055938904 0.0100360522 0.0037149970 0.0072892311 -0.0321366140 -0.0253956702 -0.0089236060 -0.0437007605 -0.0280651358 -0.0189453290 0.0039629604 0.0004634372 -0.0056246196 -0.0513947281 -0.0174478657 0.0295590491 0.0092819675 0.0008886439 -0.0075570253 0.0002149527 -0.0014384000 -0.0041403677 -0.0098637490 0.0061077072 0.0183853253 -0.0106859737 0.0029233258 -0.0001642477 -0.0072542305 0.0117676260 0.0139916508 0.0013908868 0.0006457770 -0.0053037796 -0.0064810970 0.0032038369 -0.0054053866 0.0357499328 -0.0324078679 -0.0124423797 0.0161293497 0.0499086955 0.0245681915 0.0212379691 -0.1804885698 0.0967460284 -0.0222639846 -0.3133973777 -0.0974871203 0.0544007255 -0.1993479296 -0.1464306839 -0.0727800610 0.0786988547 -0.0006551769 0.1977253378 -0.1987582318 0.0316693071 0.3766661432 -0.3484396223 0.0310517794 -0.0431314492 -0.0107836012 -0.0501101509 0.1155072442 -0.0076552719 0.1209617740 0.2514759019 -0.0261313278 0.1617222096 -0.0056622185 0.0198944933 -0.0169459037 0.0291657873 -0.0261932723 -0.0106482037 -0.1660252114 0.0589976493 0.4807287078 -0.0079111011 -0.0025551454 -0.0017556711 0.0074289318 -0.0139903941 -0.0064999196 0.0160266302 -0.0141342348 0.0335246866 0.0228925877 0.0162437298 0.0152586448 0.0078749954 0.0201937309 0.0048701779 0.0155368631 -0.0160969377 0.0124130372 -0.0381015258 -0.0832745861 0.0302584619 -0.0108385631 0.0088399310 0.0155864368 -0.0154145378 -0.1682378015 0.0700225745 -0.0094736845 0.2293213713 -0.1156581234 0.0482565943 -0.0792861041 -0.0446212081 -0.0977720944 0.2246009171 0.1346196623 -0.2197914429 0.2390079339 0.0842608370 -0.0047808544 0.0039148874 0.0078894443 -0.0917538301 0.0134193769 0.0531520422 0.1102565610 0.0436785254 -0.0621980214 0.5405787136 0.0194434720 -0.2591230749 0.0407838048 -0.0094188371 0.0008770765 -0.3129683884 -0.1637328463 -0.0430724317 0.1569136044 0.0858509823 0.0142454429 0.0198142785 -0.0079536072 0.0148880787 -0.0464878272 -0.0366080490 0.0216003119 -0.0602760690 -0.0378261326 -0.0386606314 -0.0042060300 0.0014764251 -0.0055854105 -0.0699702083 -0.0436073066 0.0451592311 0.0790165119 0.0061404264 -0.0569063195 -0.0049297926 0.0045412812 -0.0027368813 -0.0067249446 0.0090200631 0.0079169201 0.0175711248 -0.0091392320 -0.0085071864 0.0081580839 -0.0143236453 -0.0132508268 0.0015970726 -0.0025621324 0.0008883690 -0.0181728960 0.0428575746 -0.0273171878 0.1491943963 -0.1736817422 -0.0627617344 0.0010315837 -0.0084586459 -0.0042992224 -0.0179311398 0.0314852319 -0.0142003810 0.0073511516 0.0563364782 0.0176139439 -0.0212953082 0.0460287123 0.0189222573 0.0094336834 -0.0144985428 -0.0014521365 -0.0264835003 0.0156587015 -0.0095470247 -0.0766375328 0.0548430542 -0.0031956606 0.0111364257 -0.0029512567 0.0157448574 -0.0122183984 -0.0038598506 -0.0079424447 -0.0884023514 0.0159415640 -0.0950776414 0.0030584945 0.0167106633 0.0068989891 0.0028504757 -0.0036902798 -0.0045400267 -0.0672356460 -0.0590657645 -0.0339382845 -0.0066741766 -0.0033734271 -0.0018754686 0.0078475432 -0.0094559653 -0.0081124962 0.0115223193 -0.0106032574 0.0277706258 0.0230044793 0.0142526166 0.0145703686 0.0078604557 0.0178070848 0.0007258234 -0.0006132308 -0.0286463910 0.0222907099 -0.0281178353 -0.0550104517 0.0151958047 -0.0135624886 0.0028973795 0.0152873236 -0.0011629050 -0.0913667451 0.0338942137 -0.0110041639 0.1872835576 -0.0929791065 0.0493788716 -0.0738616627 -0.0403185157 -0.0925288766 0.2233782946 0.1417980527 -0.1887456184 0.1673774623 0.0859975624 -0.0141800349 0.0218918545 0.0224436195 0.0810873343 -0.0198193492 -0.0220410594 -0.1527482958 0.0190263161 0.0879909100 -0.2724454524 -0.0466516514 0.1106115333 -0.0420789202 0.0079006906 -0.0058711324 0.2012151774 0.1073146517 0.0107458859 -0.0324124856 -0.0257807103 0.0349136221 -0.0220201372 0.0155747701 0.0092770205 0.1156662129 0.0754293459 0.0173048053 -0.1584215808 -0.1242009349 -0.0070275143 0.1009455445 0.0083849573 -0.0478922573 -0.2596984242 -0.0261142319 0.1518866110 -0.3729108799 -0.0606215982 0.1953216034 0.0179057746 -0.0468265693 -0.0260421485 -0.0717285134 0.0436349362 0.2172291680 -0.1959234965 0.1523148557 0.0190303640 -0.1508393082 0.2072107139 0.1736274929 0.0008088295 0.0009547856 -0.0162384075 -0.0322939266 0.0171784989 0.0137935594 0.0990230874 -0.1062737188 -0.0008864233 -0.0023957872 -0.0038805423 -0.0008816481 0.0016982598 0.0204410255 -0.0091626891 0.0027553812 0.0289905231 0.0043803662 -0.0055293259 0.0176392736 0.0141255557 0.0092686054 -0.0096536050 0.0010273924 -0.0333078370 0.0309100672 -0.0062061884 -0.0265853501 0.0241953089 -0.0014205205 0.0004036163 0.0028035473 -0.0032624361 -0.0004472979 0.0218242187 0.0160425810 -0.0378613282 -0.0091443562 0.0138597897 -0.0056307085 0.0027020488 0.0031964879 0.0066862418 -0.0031533258 -0.0053430506 -0.0128935114 0.0052153211 0.0412415523 0.0053718135 0.0037930792 0.0015628060 -0.0058567470 0.0052718209 0.0071521916 -0.0070467330 0.0062509344 -0.0241459780 -0.0205152433 -0.0148749978 -0.0107348216 -0.0068035644 -0.0152711848 -0.0005721103 0.0017629430 0.0256319917 -0.0203837282 0.0238799454 0.0440966424 -0.0111629217 0.0136449643 -0.0029072312 -0.0143654315 -0.0025869141 0.0758382116 -0.0258198709 0.0103234306 -0.1730850071 0.0849392130 -0.0489598749 0.0719383317 0.0398087815 0.0870956752 -0.2199044822 -0.1464697737 0.1825613403 -0.1463011008 -0.0874382291 0.0172476420 -0.0300790226 -0.0254323051 -0.0836822056 0.0225929891 0.0455528264 0.2901664762 0.0275449892 -0.1533084522 0.2356447454 0.0333448505 -0.1048232194 0.0054860070 -0.0041863331 -0.0229061336 -0.1447523614 -0.0688053127 -0.0469624087 0.1984892645 0.1140019470 0.0395092361 -0.0288994855 -0.0134288106 0.0116666147 0.1594845234 0.1101583138 0.0958409661 -0.1007063039 -0.0887596812 0.0063742824 0.0952326256 0.0135164533 -0.0446869001 -0.2548894971 -0.0511026770 0.1617113912 -0.3116952661 -0.0613661426 0.1394920863 0.0068616328 -0.0403100284 -0.0198291149 -0.0459909402 0.0485037015 0.1920268824 -0.1389888236 0.1450283060 -0.0006178152 -0.1278894497 0.1601170828 0.1238611938 -0.0013538949 -0.0002081189 0.0170567268 0.0295877738 -0.0109912504 -0.0140749823 -0.0700657096 0.0782806713 -0.0053463011 -0.0038870015 -0.0121342335 -0.0007268028 -0.0098421956 0.0595365490 -0.0226230990 0.0013689236 0.0590543835 0.0340491967 0.0002982846 0.0233882754 0.0355255005 0.0135417237 -0.0102108434 0.0125459906 -0.0932236166 0.0766351942 -0.0181781525 0.0499657608 -0.0173541653 0.0062727081 -0.0333684218 0.0080451158 -0.0355214869 0.1610729597 -0.0384409429 0.1233562158 0.0868537362 0.0013966770 0.0532262077 0.0140248368 0.0030352795 0.0115800580 -0.0049424620 0.0007691176 -0.0002552317 -0.0002007762 -0.0253636465 -0.0323576580 -0.0015422922 0.0012134600 -0.0009585858 0.0061247269 -0.0100005302 -0.0028738332 0.0084701049 -0.0087791309 0.0023951670 0.0055709605 -0.0084432521 0.0118657812 0.0012215612 0.0064704298 -0.0029495015 -0.0089057780 -0.0174926720 0.0109409489 -0.0067425095 -0.0120610225 0.0015336101 0.0020358385 -0.0115096922 0.0009269424 -0.0011060771 0.0350146700 -0.0100629518 0.0057568192 -0.0062419910 0.0018314854 -0.0092483891 0.0179624356 0.0075001637 0.0158732769 -0.0576631302 -0.0551165295 0.0568276900 -0.0294573535 -0.0340365623 -0.0023399941 -0.0052113679 0.0061597538 0.0053439241 0.0041038620 -0.0036139332 -0.0271330375 -0.0235403507 0.0230203221 -0.0057961194 -0.0054809218 -0.0142144644 0.0005637517 -0.0010785461 0.0025694737 -0.0060971280 -0.0005962479 0.0073347397 -0.0096915496 -0.0093954293 0.0009775288 0.0037781770 0.0015981712 0.0002238986 -0.0168400960 -0.0131983353 -0.0099913205 0.0031237545 0.0048600041 -0.0031673092 -0.0069773270 -0.0007401441 0.0028176861 0.0126682840 0.0009311767 -0.0078982677 0.0252616490 0.0048191904 -0.0123077533 -0.0001574734 0.0025550809 0.0005709533 0.0015022867 -0.0027506442 -0.0107444211 0.0072916569 -0.0102166982 0.0004223931 0.0080650549 -0.0090277164 -0.0059247160 0.0007714352 0.0018219555 -0.0039070192 -0.0031324175 -0.0061790269 0.0032945592 0.0143568982 0.0134401594 0.0024930672 0.0030031001 -0.0586173544 -0.0133281953 -0.0600248275 0.2342271546 -0.0983780264 0.0362411768 0.2585678188 0.0967554188 -0.0807406216 0.2085283301 0.1275053059 0.0304899182 -0.0321990400 -0.0049757763 -0.0474512863 0.0858541657 0.0117396407 -0.1220578161 0.1381397728 -0.0211741302 -0.0028988455 0.0128104874 0.0110900296 -0.0411118241 0.0859344721 0.0586603274 -0.1881341141 -0.0072925645 -0.0061626074 -0.0385155287 0.0455723716 -0.0410775287 0.0561312274 -0.0462166021 -0.0237773823 -0.2695882602 0.1427166833 0.7519912280 -0.0030773203 0.0008046613 -0.0011445048 0.0059782566 -0.0128427575 -0.0027310462 0.0096229597 -0.0083513439 0.0109071558 0.0094425106 -0.0005065496 0.0114885701 0.0026855378 0.0070993066 -0.0004293619 -0.0006587415 -0.0100752135 0.0075894708 -0.0107646407 -0.0246521143 0.0077159883 -0.0038068925 -0.0029941529 0.0052411198 -0.0018555959 -0.0197617146 0.0086892389 -0.0017398055 0.0615132316 -0.0315943736 0.0134675376 -0.0188024103 -0.0105849707 -0.0280564682 0.0600280685 0.0290945406 -0.0460962189 0.0478310063 0.0184479269 -0.0083820131 0.0074164071 0.0077935398 0.0194181816 0.0043197077 -0.0092379948 -0.1314703936 -0.0541479167 0.0880342579 -0.0488809004 -0.0331127083 -0.0350153915 -0.0034340024 -0.0017882955 0.0101399664 0.0223340741 0.0092327048 0.0154189361 -0.0270126457 -0.0152008501 0.0025910940 0.0201144443 0.0086344545 -0.0007977360 -0.0736164455 -0.0513821208 -0.0376722228 -0.0046996528 0.0051647470 -0.0232844533 -0.0316484149 -0.0056710529 0.0127424123 0.0680620001 0.0072109323 -0.0444748584 0.1083709419 0.0191583252 -0.0511639276 -0.0029322666 0.0141696766 0.0066498940 0.0120356511 -0.0158609609 -0.0630998054 0.0483568311 -0.0493897169 -0.0002855027 0.0422339468 -0.0542522227 -0.0449631891 0.0005814451 -0.0000827701 -0.0059686714 -0.0025258357 -0.0015051012 -0.0063310330 -0.0029014606 -0.0196627291 -0.0069084303 -0.0173245306 -0.0271046501 0.0014075107 -0.0043172467 0.1578414993 -0.0589611575 0.0007155826 0.1564951316 0.0761445933 0.0102354157 0.0486583643 0.0992349159 0.0485314522 -0.0416798735 0.0416311789 -0.3416184876 0.2754003694 -0.0695679142 0.1458543649 -0.0517843129 0.0209631794 -0.0946898521 0.0280803077 -0.1272242876 0.4961565120 -0.0326806862 0.4367766446 0.1970928923 -0.0467280937 0.2676435748 0.0295038543 0.0015616757 0.0484804430 -0.0057789977 0.0031092151 -0.0107720665 0.0357099890 -0.0692206001 -0.1073827150 0.0559422995 -0.1073731146 0.0483802186 -0.1090539674 0.5059360855 -0.0119890789 -0.3843315974 0.3048325603 -0.1517776387 -0.0824759957 0.3327044587 -0.3731562522 -0.0067913499 -0.0201754764 0.0118732233 -0.0282209488 0.0834908154 -0.0110606617 -0.0253029739 0.0884931778 -0.0697405952 0.0103966924 0.0772534527 -0.0273794021 0.0266898797 -0.2745087211 0.0701294049 0.0184374308 -0.1642510512 0.1196486554 -0.0055800604 -0.0260352580 -0.0026266417 0.0632887216 -0.0802577220 0.0548831871 -0.0666677425 0.0822360775 0.0202896891 -0.0057929283 0.0003951972 0.0075703165 0.0017023619 -0.0005748904 -0.0009319011 -0.0067007287 -0.0025513418 0.0042598070 -0.0031389001 -0.0020210249 -0.0007316431 0.0007920724 0.0005822494 0.0003532555 0.0001277680 0.0021003092 0.0032191208 -0.0049216460 -0.0055284825 0.0012404467 -0.0009329421 -0.0002769846 -0.0005890160 0.0018843240 0.0006177407 -0.0012584493 0.0028569168 0.0028074819 0.0005749757 -0.0001375963 0.0000907267 0.0003318736 0.0027205669 0.0009737372 -0.0014700924 -0.0008535327 -0.0001072208 0.0004585776 -0.0000033640 0.0000078396 0.0001002902 0.0009050790 -0.0000778280 -0.0007272925 0.0001725448 -0.0001467543 0.0000480803 0.0005132885 -0.0006051783 0.0001214630 0.0008136615 0.0007529357 -0.0065841442 -0.0009700170 0.0014800758 0.0007561631 0.0030019897 -0.0009848870 0.0005237604 -0.0053201984 0.0112568150 0.0008358072 0.0106376354 -0.0450725440 0.0174802680 -0.0030556864 -0.0053605953 -0.0187159223 0.0063273623 -0.0286121143 -0.0217323451 0.0151573997 -0.0158794865 0.0026398271 -0.0479440670 0.0387914584 -0.0119607156 -0.0468006681 0.0381309200 -0.0002611107 -0.0031064136 0.0053109715 -0.0018641011 0.0153629172 0.0069740648 0.0202205730 -0.0309320995 -0.0004894277 0.0034261212 -0.0010066334 0.0018915462 -0.0036211066 0.0027552035 -0.0026689697 -0.0009818903 -0.0162944218 0.0107382435 0.0515286650 0.0073790584 -0.0377730082 0.0168154068 0.0084390124 0.1387655251 -0.0312008826 -0.1047228445 0.0664033802 -0.0373992650 0.0118169430 0.1095407923 -0.0790574666 0.0088960514 0.0369313240 -0.0142679517 -0.0481095936 -0.0742353496 0.0562887463 -0.0500796051 -0.0907825407 0.0152722918 -0.0005428355 -0.0293178702 0.0120179984 -0.0133612908 0.0647891625 -0.0071158852 -0.0063749285 0.0672648353 -0.0503446147 0.0011544827 0.0025504029 0.0019757401 -0.0425011809 0.0308177139 -0.0409518004 0.0323009265 0.0144957023 -0.0279310560 0.0035951123 0.0002007177 -0.0031644671 0.0027116241 -0.0041902537 -0.0004600025 0.0011531207 0.0237795038 -0.0085908778 -0.0000285888 0.0076744768 0.0209009957 -0.0037325551 -0.0016489535 -0.0008999353 0.0186722638 0.0053569999 -0.0024318958 0.0023568887 0.0065620402 -0.0041767836 0.0032506268 0.0019213628 0.0006816782 -0.0124768829 -0.0056542701 -0.0004617540 -0.0020374208 -0.0048262933 0.0009668920 -0.0029302803 -0.0006502442 0.0007372944 0.0008753383 0.0027083258 -0.0022853631 0.0102821026 0.0040611073 -0.0014325554 0.0029163230 -0.0008338550 -0.0019800426 -0.0110413064 -0.0012753903 0.0083586141 -0.0107785651 0.0013279765 0.0033195384 -0.0046681753 0.0099770640 0.0047302667 -0.0006279991 -0.0011389748 0.0028162143 -0.0037690851 0.0040739686 -0.0003892502 0.0089118850 -0.0163197988 -0.0025372773 0.0512845375 -0.1149215342 -0.0113250789 -0.2150784911 0.3841922119 -0.1377256419 0.0787050655 0.2880827875 0.1753607396 -0.1877722625 0.3427225242 0.1368312483 -0.0891101831 0.0904081511 -0.0101448687 0.2984088552 -0.1978487858 0.1109823869 0.3192427764 -0.1668816310 -0.0216183776 0.0073889102 -0.0291145792 -0.0039910656 -0.0666968682 -0.0012035072 -0.0539289899 0.1832623216 -0.0203448798 0.0552693377 0.0078840546 -0.0116462745 0.0125946933 -0.0134459976 0.0121180386 0.0057556265 0.0678172773 -0.0440267405 -0.1937013839 -0.0003401968 -0.0016007523 0.0001850408 0.0022838467 0.0023427246 -0.0024236397 -0.0027485318 0.0018109410 0.0017807895 0.0044602562 0.0048086430 0.0004067577 0.0016680553 0.0036883269 -0.0010552974 -0.0083683942 -0.0057647467 0.0088285599 -0.0086415304 -0.0079700527 -0.0029347059 -0.0028326217 -0.0039746411 0.0028297981 0.0063200929 0.0060271251 -0.0061074428 0.0042394042 0.0269848797 -0.0097134051 0.0061242781 -0.0063667539 -0.0066547086 -0.0051333341 0.0260112786 0.0232928608 -0.0165942243 -0.0033050016 0.0108657336 -0.0061037715 0.0099413826 0.0148497080 -0.0026292564 -0.0146955616 -0.0205977166 -0.1341636009 -0.0131207195 0.0471182390 0.0166212396 0.0200539999 0.0295169837 0.0892648311 0.0557916824 0.0209008994 -0.2629019774 -0.0824767474 0.0021981905 -0.2778178185 -0.2374679324 -0.0231065689 -0.1041379269 -0.0454763539 -0.0141437525 0.3047649671 0.1547809996 0.0223742065 0.1235694492 0.1382312279 0.0594281263 0.0921090723 0.0205601081 -0.0297355904 -0.0739988147 -0.0652691439 0.0837639224 -0.3120339052 -0.0995993405 0.0755872988 -0.0894463336 0.0236477641 0.0580973126 0.3458963157 0.0377572521 -0.2647814686 0.3221571682 -0.0529860707 -0.0981302818 0.1412405451 -0.2965383177 -0.1150823411 0.0005491120 0.0005419405 -0.0088407258 0.0022927341 -0.0062616854 -0.0000248145 -0.0175943467 0.0245308846 0.0050076475 0.0014813509 -0.0046810499 -0.0000863315 -0.0071486168 0.0194166702 -0.0067074871 0.0027363804 0.0124352868 0.0073705201 -0.0065141717 0.0138882030 0.0076655090 -0.0026200101 0.0020147037 0.0005603256 0.0005223238 0.0007336298 0.0021381682 0.0169161871 -0.0093709081 -0.0005250903 -0.0002860551 -0.0006423468 -0.0053107240 0.0091523212 0.0150926966 0.0215538985 -0.0017469767 -0.0103790182 0.0239614299 0.0005693444 -0.0006557394 0.0006492188 0.0001969994 0.0000429958 -0.0003562770 -0.0000645083 -0.0024955619 -0.0010371165 -0.0008268664 0.0105074616 -0.0051960153 -0.0094040283 -0.0352333588 0.0125791592 0.0265376854 -0.0133055275 0.0122029054 -0.0067913173 -0.0286409876 0.0163868178 -0.0027486762 -0.0158727020 0.0078342011 0.0203107531 0.0391186149 -0.0239973625 0.0163555185 0.0413423056 -0.0115985206 -0.0023502690 0.0170298021 -0.0060287391 0.0083575361 -0.0598437533 0.0098940867 0.0071703077 -0.0173550903 0.0226252671 0.0049050621 -0.0107054118 -0.0049721873 0.0038369397 0.0083016943 0.0254661206 -0.0226545832 0.0116677394 0.0111383023 -0.0053965094 0.0073420425 0.0144796146 -0.0088714504 -0.0119353636 -0.0197572345 -0.1370146857 -0.0027617703 0.0442193606 0.0542886393 0.0335005236 0.0255396302 0.0909547855 0.0478052772 0.0215096137 -0.2854153811 -0.0803305036 0.0357700471 -0.2008537233 -0.2078023274 0.0098217563 -0.0811381067 -0.0629474734 -0.0538028749 0.1814032468 0.1431531364 0.0960492863 0.3361835036 0.2217975837 0.1182620464 -0.0459118768 0.0103606165 0.0479615272 0.2640998668 0.1258271829 -0.1481589587 0.0924158971 0.0387341243 -0.0211947511 0.0783495695 -0.0389566465 -0.0563178236 -0.2140941338 0.0033203867 0.2706853669 -0.3476056878 0.1055922568 0.0892330870 -0.1181945230 0.2646014146 0.1986923966 0.0004557943 0.0008042233 -0.0087088996 0.0017687254 -0.0049362948 -0.0012739901 -0.0257846827 0.0214694096 0.0033368313 0.0024834130 -0.0062504001 -0.0001538348 -0.0146493191 0.0216816596 -0.0067524932 0.0054518236 0.0222991351 0.0093561598 -0.0133510287 0.0191470380 0.0053622913 -0.0029952897 0.0021220861 0.0010592060 0.0004976589 0.0018149994 0.0034749249 0.0213668888 -0.0088689157 -0.0012437814 -0.0007147883 -0.0008406143 -0.0069687133 0.0128860358 0.0188980838 0.0287701731 -0.0017274085 -0.0128072553 0.0295345087 0.0013735551 -0.0006598704 0.0014211052 -0.0004211624 0.0003803600 -0.0001994923 0.0019441413 -0.0042662180 -0.0072077580 0.0031759831 -0.0753375078 0.0349121882 0.0763801931 0.2326986648 -0.0941958423 -0.1817729691 0.0905611719 -0.0698090139 0.0676454324 0.2058014479 -0.0991619628 0.0241034427 0.1272465371 -0.0595586205 -0.1671454330 -0.3017448565 0.1973470510 -0.1425845068 -0.3246128382 0.0802017810 0.0030233454 -0.1399877927 0.0576182885 -0.0235030271 0.4497115953 -0.1008291352 -0.0274238599 0.2654374351 -0.2114583844 -0.0047579795 0.0464999103 -0.0009926937 -0.0405171942 0.0588856725 -0.0622206857 0.0738963119 -0.1060295187 -0.0246592874 0.0055509805 -0.0014673231 -0.0060726684 -0.0072809969 0.0022383195 0.0002356755 -0.0055032033 -0.0089004391 0.0028446760 0.0188121891 0.0041768951 -0.0103918319 0.0134492970 0.0060216053 0.0031525168 -0.0507939662 -0.0200656796 -0.0011573833 -0.0164319579 -0.0177562406 0.0003345973 -0.0108577694 -0.0095153500 -0.0079215407 0.0262506997 0.0230379339 0.0191082465 0.0455184593 0.0273904988 0.0165687050 -0.0072349192 0.0011844124 0.0072866351 0.0391965720 0.0178135822 -0.0219400832 0.0161622188 0.0051324039 -0.0052574495 0.0124185846 -0.0058847921 -0.0087821442 -0.0365990917 0.0002838971 0.0440717807 -0.0537375601 0.0173468454 0.0136169227 -0.0194641049 0.0421223734 0.0281966638 -0.0015341269 -0.0005942151 0.0056480553 0.0049315755 -0.0065192761 -0.0020480379 -0.0124021605 0.0150618279 0.0001142759 -0.0199954615 0.0400356576 0.0032776045 0.1030840878 -0.1119671616 0.0352446268 -0.0403403294 -0.1415618228 -0.0510185722 0.0999613881 -0.1289916670 -0.0177162844 0.0251156240 -0.0225745325 0.0020467223 -0.0940763549 0.0453432972 -0.0497936196 -0.1011115846 0.0212119836 0.0171068959 -0.0014777639 0.0078115582 0.0030489209 0.0260345384 -0.0165107457 0.0059585739 -0.0420195508 0.0134910166 -0.0353031247 -0.0012234179 0.0043396379 -0.0000794449 0.0023280678 -0.0026820653 -0.0017879854 -0.0137738094 0.0031226387 0.0218888864 -0.0002656708 -0.0002670420 0.0000731885 0.0001445344 0.0047017841 -0.0013749013 -0.0043684462 0.0035922685 -0.0017454100 0.0003992717 0.0042263842 -0.0026661267 -0.0014228403 -0.0043104349 0.0013593550 0.0172356375 -0.0018477275 -0.0115088846 0.0196541853 0.0126714169 0.0091505212 0.0123833182 0.0064509599 0.0000899846 -0.0820767401 0.0140514033 0.0603700470 -0.0840722285 -0.0335701688 -0.0606366113 0.0007507714 -0.0081349354 0.0124788003 -0.0560897027 -0.0046530533 -0.0950105836 0.0500505326 0.0803681547 -0.0544762551 0.0029658628 -0.0024923918 -0.0154341140 0.0119186153 0.0753190100 0.0250863428 0.0602419993 -0.6156939093 0.2276473246 -0.2503829034 -0.3450826234 -0.5249818852 0.0049554300 0.0087108173 -0.0013355289 -0.0604096104 0.0218640150 0.0528872253 0.0214050501 -0.0404611093 0.0712076551 -0.0066306724 -0.0066032534 -0.0034636433 0.0483610804 0.0146478173 -0.0129897265 -0.0054620679 0.0261003454 -0.0292010759 0.0017263332 0.0007932221 0.0027075807 0.0178187086 -0.0040505746 -0.0040613727 -0.0164332669 -0.0105285391 -0.0041895918 0.0005575183 -0.0020885917 -0.0011972440 0.0078707766 0.0095673797 0.0167767251 -0.0114853996 0.0178142886 -0.0011122851 0.0022261678 -0.0025525884 0.0039859303 0.0001153930 -0.0030718505 0.0108671625 -0.0011283693 0.0116711122 -0.0038554546 0.0219239625 -0.0415431480 -0.0104658046 -0.0003822877 0.0014880922 -0.0039598142 -0.0190442046 0.0172539730 -0.0063444681 -0.0202358426 -0.0216128622 0.0489455332 0.0415946460 -0.0239128704 0.0192313112 -0.0024480168 0.0020144746 -0.0041840034 0.0271913460 0.0009033156 0.0206997781 0.0071260488 0.0110904567 -0.0090403024 -0.0023171450 0.0003553276 0.0144489041 -0.0145846497 -0.0733291528 -0.0812222368 0.0587881329 0.0365817674 -0.0701413292 -0.0011753508 -0.0001283946 0.0002905185 -0.0006056864 0.0006968458 0.0008549515 -0.0016399828 -0.0045265262 -0.0108774096 -0.0011639178 -0.0012601894 -0.0009402800 0.0009206489 0.0116671606 -0.0050033899 -0.0189336769 0.0193196974 0.0011928986 0.0090686593 0.0204310705 -0.0070111611 -0.0064873542 -0.0160570692 0.0049614095 0.0716031880 -0.0136853627 -0.0464217051 0.0827398619 0.0549505620 0.0387117630 0.0508000113 0.0206077087 0.0041764368 -0.3471411050 0.0814419371 0.2506711603 -0.3587387046 -0.1119797127 -0.2769371021 0.0111311125 -0.0359401824 0.0402623653 -0.2190498278 -0.0082608726 -0.3625431129 0.1919443750 0.3031149799 -0.2102930930 -0.0033066547 -0.0001183713 -0.0090886571 0.0075259284 -0.0253684810 -0.0110755775 -0.0632761336 0.1709392657 -0.0395348741 0.0616340144 0.0875591487 0.1460340357 0.0022024480 0.0012797715 0.0043043658 0.0135897755 -0.0097887604 -0.0180430427 -0.0317467901 -0.0039463405 -0.0245426821 -0.0013686783 0.0006914259 -0.0022083630 -0.0134370836 0.0046011708 0.0136311418 0.0114134739 -0.0106702102 0.0192533098 0.0000485040 0.0007466657 -0.0003230017 0.0015724764 -0.0014684239 -0.0004792181 -0.0015951849 0.0000098367 -0.0005129568 -0.0005264085 0.0007535857 0.0004579522 0.0032517864 -0.0020048713 -0.0082387358 0.0015247305 -0.0072464374 0.0016864685 0.0023727013 -0.0021434566 0.0035529988 0.0000157324 -0.0003613530 0.0073003365 -0.0127686973 0.0113724435 0.0040290795 0.0433739499 -0.0534354806 -0.0044299348 -0.0050186713 0.0105726447 -0.0115456746 -0.0502089429 0.0761265273 -0.0255453311 -0.0798236798 -0.0955039474 0.1757054570 0.1702539650 -0.0994307846 0.0809094114 0.0024752737 -0.0040778909 -0.0065760791 -0.0156261152 0.0311805707 0.0031073052 0.0020888875 -0.0159897272 -0.0024031925 -0.0093401141 0.0071595243 0.0101787317 0.0517418632 -0.1112819068 -0.0575872135 0.0684294867 0.0491262318 -0.0809682219 -0.0022738922 0.0002498178 -0.0022061518 0.0025626783 -0.0010908320 -0.0000350641 -0.0090396692 0.0093403474 0.0301291897 -0.0022980165 -0.0009706181 -0.0018055746 0.0050829527 -0.0172598881 -0.0021373797 0.0106746364 -0.0058966561 0.0176772229 0.0145858274 0.0012876160 0.0128896602 0.0109965425 0.0093559925 -0.0032379079 -0.0730333971 0.0094567784 0.0546098011 -0.0717794969 -0.0240013675 -0.0557702133 -0.0516807855 -0.0000528717 -0.0002926392 0.3081391294 -0.1173007899 -0.2055056260 0.2882648669 0.0862184340 0.2514236934 0.0039828294 -0.0118009565 0.0105460294 -0.0829448010 0.0259943018 -0.0927210481 0.0590628453 0.0648418041 -0.0574795423 0.0003078969 0.0042075737 0.0052657869 0.0021390904 -0.0053766024 -0.0046181252 -0.0222272079 0.0381456263 -0.0077004553 0.0091858074 0.0239306665 0.0397873585 0.0006207791 0.0003108682 -0.0001111128 -0.0043622174 0.0048124618 0.0099592539 -0.0050049746 -0.0117054189 0.0062934729 -0.0001182881 -0.0000920406 0.0013246307 0.0057479066 -0.0062316790 -0.0131640431 -0.0011708900 0.0118362896 -0.0093551866 -0.0007193366 -0.0008297183 0.0000513342 -0.0006326748 0.0085188509 -0.0032371997 0.0046335326 0.0050339778 0.0063004830 0.0000613095 0.0002369422 -0.0005941009 0.0030489985 0.0006926558 -0.0017324226 -0.0043809269 -0.0036065527 0.0023602128 0.0027481669 -0.0016747832 0.0063988879 0.0003528827 -0.0000959816 -0.0026469573 -0.0010095350 -0.0027453260 0.0015621629 -0.0006008454 0.0081894760 0.0025425939 -0.0047167949 0.0127895728 -0.0255360788 -0.1298453459 0.1146696901 -0.0388510323 -0.1287871625 -0.1142891341 0.3125180064 0.2575514740 -0.1326998899 0.1314213557 -0.0065398972 -0.0244061752 -0.0104215726 0.0381680590 0.1199259719 0.1335288164 0.0916444840 0.1110620278 -0.0794428649 -0.0286056978 0.0186045888 0.0330069321 0.1415447370 -0.3450440163 -0.1909856040 0.2203038719 0.1504266751 -0.2573858648 -0.0023253233 0.0001490925 -0.0061474204 0.0018099611 -0.0006720756 0.0017707655 -0.0185254049 0.0142348983 0.0536614499 0.0007282381 0.0010787186 -0.0014101493 -0.0075201959 -0.0074123257 0.0062413835 0.0056473372 -0.0002247777 0.0087443010 -0.0017109438 -0.0027600992 -0.0005267244 0.0028388415 -0.0015984733 0.0020006961 -0.0184429866 0.0193169253 0.0098232616 -0.0219307752 0.0035345990 -0.0232882343 -0.0105685050 0.0030118511 -0.0030722337 0.0695953846 -0.0519314043 -0.0397702816 0.0719107593 0.0090603705 0.0664765148 -0.0041480889 0.0050192783 0.0000211179 0.0152399014 -0.0217424122 -0.0021745203 0.0066775149 -0.0147911893 -0.0032253976 0.0043580635 -0.0103774036 0.0062833449 0.0044743326 -0.0003700407 0.0002633730 -0.0083916776 -0.0072310200 0.0099755541 -0.0012349045 -0.0106358905 -0.0136130574 -0.0007525124 -0.0003343231 -0.0013493629 -0.0011948118 0.0079244254 0.0115887125 0.0015274511 -0.0086645811 0.0092024424 0.0001620433 -0.0000881192 0.0024968764 0.0090787141 -0.0085202465 -0.0180901197 -0.0058412836 0.0145868496 -0.0150309196 -0.0002140945 -0.0007886235 -0.0003931801 -0.0030221590 0.0066984567 -0.0013939599 0.0029280198 0.0044562409 0.0063597304 -0.0002399788 0.0000550592 -0.0006006773 0.0050580281 0.0021380651 -0.0003833062 -0.0046788896 -0.0016274020 0.0018539767 0.0033677035 -0.0028730554 0.0064856903 0.0003078266 0.0014921685 -0.0032134469 -0.0096871157 0.0084217783 -0.0015814400 0.0195111803 -0.0181290528 -0.0063859701 -0.0005894581 -0.0081338713 -0.0163954834 -0.0063545033 0.1847922616 -0.0761513486 -0.0785375936 -0.1148556574 0.2024058104 0.1993625134 -0.0178546078 0.1894884874 0.0384099013 0.0687505716 0.0052668242 -0.1955257735 -0.3127886572 -0.4801671216 -0.3789270835 -0.4416561110 0.2796779406 0.0077854788 -0.0051761790 0.0014659257 -0.0577057133 0.0465414811 -0.0117699875 -0.0112087933 -0.0109767969 0.0234388149 -0.0081584784 0.0106197893 0.0169288818 0.0067608055 -0.0055680069 -0.0111871171 -0.0103714943 -0.0142376500 -0.0294137507 -0.0056301885 -0.0039096541 -0.0017097862 0.0257196977 -0.0122047191 -0.0193313882 -0.0032379007 0.0021031857 0.0134854052 0.0362000575 0.0150712663 0.0237776084 0.0110153076 0.0095276067 -0.0056595371 -0.0630820987 -0.0192531716 0.0564780357 -0.0485185004 -0.0106335994 -0.0462712746 -0.0446385985 0.0056993004 0.0062162465 0.2409079646 -0.0759596269 -0.1610738117 0.1994469622 0.0637026306 0.1934571171 0.0107607582 -0.0374759301 0.0520961681 -0.2943017051 0.0135109790 -0.4534026498 0.2598188283 0.3214951259 -0.2610135492 -0.0020866813 -0.0041459172 0.0006026190 0.0033205241 0.0005148870 0.0019388027 -0.0078700425 -0.0124134013 0.0132337435 -0.0024165961 -0.0143450350 -0.0193387754 0.0011323962 0.0009823659 0.0021618385 0.0046418312 -0.0079426477 -0.0134492797 -0.0072311369 0.0068849553 -0.0112829558 -0.0003227119 0.0008454531 -0.0049715023 -0.0188112793 0.0161163285 0.0336855274 0.0075763337 -0.0314323526 0.0283926093 0.0007376267 0.0018546158 0.0006194594 0.0065674913 -0.0179515890 0.0041390263 -0.0087371709 -0.0114741151 -0.0153907281 0.0001753444 0.0001420111 0.0012049964 -0.0070382121 -0.0030791999 0.0000260722 0.0084631727 0.0028601820 -0.0032337348 -0.0045090334 0.0032832119 -0.0111086336 0.0010143611 0.0002403785 0.0001038651 -0.0078311754 0.0090972996 -0.0000903651 0.0337553181 -0.0415849809 -0.0074657085 0.0093299567 0.0039299313 0.0163116578 -0.0272153649 -0.1495165531 0.0684980452 0.0756092057 0.1012112410 -0.1481420469 -0.1704456347 0.0019185985 -0.1769028391 0.0069706164 0.0061366619 0.0055025209 -0.0138273222 -0.0315908905 -0.0400632036 -0.0315116118 -0.0222477571 0.0241653928 0.0174355206 -0.0122459744 -0.0215240507 -0.0907856524 0.2231793731 0.1250010769 -0.1490725136 -0.0967554094 0.1608112712 0.0015568704 0.0016327428 0.0069826674 0.0001921907 0.0004117562 -0.0014197319 0.0078286788 -0.0159492193 -0.0474167876 0.0009307626 0.0001463804 0.0002760888 -0.0099776616 0.0023566424 0.0066161512 0.0047963918 -0.0040363689 0.0017567156 -0.0099423493 -0.0030025366 -0.0074349046 -0.0025327425 0.0012579673 -0.0005340874 0.0178996295 -0.0081995190 -0.0118844311 0.0158541975 -0.0019053744 0.0181641499 -0.0007622641 -0.0001890610 -0.0006004047 0.0054044923 -0.0055116598 -0.0031414373 0.0074704156 0.0040942453 0.0038044144 0.0007623932 0.0005632560 -0.0049264932 0.0197153597 0.0047423367 0.0385344722 -0.0252891371 -0.0213696076 0.0227655578 -0.0032077447 0.0046079966 0.0014455620 0.0001877184 0.0017426983 -0.0005560525 -0.0157545566 -0.0442717212 0.0241722232 -0.0243854825 -0.0216557557 -0.0261607478 0.0090135461 0.0069107295 0.0235828191 0.0695184428 -0.0809562643 -0.1448462650 -0.0729753588 0.0844712223 -0.1310179595 0.0023736619 0.0149674790 -0.0611563724 -0.2611458111 0.1831152885 0.4114043585 0.1154220688 -0.3817375635 0.3645831304 0.0037251006 0.0353718641 0.0172320178 0.1173700334 -0.3207453149 0.0782417256 -0.1229489778 -0.1959150510 -0.2908626007 0.0071526243 -0.0011991798 0.0157224861 -0.1330462894 -0.0489259443 0.0256616555 0.1324325704 0.0631191514 -0.0581233598 -0.0853163310 0.0713081395 -0.1862870779 0.0003070213 -0.0000658114 -0.0010854834 0.0041966223 -0.0041064200 -0.0003182654 -0.0055004534 0.0102002304 0.0023356732 -0.0010782392 -0.0001011158 -0.0029335045 -0.0020851819 0.0249016341 -0.0105327649 -0.0146706804 -0.0186539136 0.0321868972 0.0329664894 -0.0060779796 0.0282139085 0.0000759742 0.0012637242 -0.0010648758 -0.0023103174 -0.0034451534 -0.0067275197 -0.0050324775 -0.0097971369 0.0038029423 -0.0006300228 0.0009877009 0.0017410446 0.0020196805 -0.0120709897 -0.0103139977 0.0101284956 0.0054102596 -0.0068811057 -0.0011519696 -0.0009503277 -0.0013186556 0.0002783984 0.0000028512 0.0000452063 0.0032021341 0.0059825750 0.0081351593 -0.0002679520 -0.0001576307 -0.0003735540 0.0017936302 -0.0044544010 -0.0004836790 -0.0020607219 0.0039325136 0.0045628254 0.0052283286 0.0047042334 0.0014164497 0.0008074267 -0.0005830222 -0.0000449321 -0.0066591254 0.0036052326 0.0036452192 -0.0051369462 0.0000896659 -0.0058578191 0.0003675672 -0.0000438759 0.0001430607 -0.0013948960 0.0020877200 0.0006704193 -0.0020310909 -0.0019157230 -0.0008955360 -0.0005155689 0.0005637566 0.0008286856 -0.0015638447 -0.0019984097 -0.0052861200 0.0041273850 0.0013834279 -0.0031661376 0.0013091991 -0.0017931895 -0.0004442616 0.0032808690 -0.0034009474 0.0005058013 0.0110718699 0.0338292801 -0.0163101263 -0.0008485533 0.0120332507 0.0269530508 -0.0115394313 -0.0095096950 -0.0107446655 0.0284572365 0.0460158054 0.0473769093 0.0262907115 -0.0113000732 0.0266511439 0.0078753483 0.0024399062 0.0279938107 0.0600026996 -0.0955463348 -0.1756426010 -0.0333009606 0.1618731267 -0.1342514541 -0.0274267382 0.0492260772 0.0254753357 0.1898201438 -0.4602658553 0.0894029351 -0.1111699142 -0.2347130599 -0.4122841124 -0.0070775268 -0.0167529030 -0.0272802955 0.2931862000 0.2321421830 0.2289435853 -0.2192199981 0.2621840858 -0.0037881339 0.1842976432 -0.2083317982 0.1232403444 -0.0002929447 0.0001025003 0.0003287332 -0.0019489391 0.0015704912 0.0006881539 0.0012646164 -0.0035539473 -0.0001943957 0.0002049376 -0.0003238533 0.0008688019 0.0032844082 -0.0064482285 0.0023192371 0.0050421509 0.0059985087 -0.0115794943 -0.0108873791 0.0045357432 -0.0067232655 0.0003196835 -0.0001802323 0.0006842083 -0.0012610082 -0.0008951847 -0.0012472999 -0.0013355177 0.0013199988 0.0007001711 -0.0008726944 0.0003845553 0.0002799876 0.0044941214 -0.0072713579 -0.0023429498 0.0045980521 0.0030016576 -0.0049763049 0.0002610173 0.0001354803 0.0002778279 -0.0000953375 0.0000241706 0.0000309438 -0.0005350494 -0.0009412687 -0.0010997541 0.0008902804 0.0025549384 0.0082095861 0.0095047966 0.0755944498 -0.0187353734 0.0198773182 -0.0623430371 -0.0996981534 -0.0636518395 -0.0749630758 -0.0009906123 -0.0060408243 0.0069962134 -0.0002683955 0.0577086098 -0.0450788691 -0.0266582633 0.0481691694 -0.0020825980 0.0546253875 -0.0019933600 0.0004435615 -0.0002121569 -0.0014027134 0.0012541718 -0.0011176247 0.0006431384 0.0045700990 0.0014290293 0.0036332039 -0.0080245555 0.0056950315 -0.0385722563 0.0170853619 -0.0374782636 0.0161667627 0.0397271805 -0.0187313836 -0.0007006976 0.0090292711 -0.0164571819 0.0046523062 -0.0053600432 -0.0063908695 -0.0363642196 0.0242226388 0.0026602275 -0.0014396857 0.0168542323 0.0343206575 0.0024325845 0.0026290496 0.0037854103 -0.0011019657 -0.0057428004 -0.0065061892 -0.0193656447 -0.0078937440 -0.0068498312 -0.0016216380 -0.0004032668 -0.0033685652 -0.0068622371 0.0082876125 0.0146239983 0.0104442743 -0.0092737995 0.0150247346 0.0003028782 0.0000587593 -0.0000197824 0.0021046787 0.0056633171 -0.0030754670 -0.0009510911 0.0024185145 0.0048859378 0.0000075578 0.0007587046 0.0000642063 0.0000858110 -0.0040120968 -0.0093203380 -0.0015175761 -0.0112040208 0.0038336447 0.0006347534 0.0015151965 0.0074598862 -0.0010219736 -0.0032825778 0.0105877605 -0.0004505302 -0.0000473173 0.0038622648 0.0043084110 -0.0120526283 0.0036429266 0.0072894347 -0.0221382499 0.0239602961 0.1147058007 -0.1385681928 0.0435120244 0.1578838134 0.2000607899 -0.3405474238 -0.3330267543 0.1859212917 -0.1570329349 0.0232882244 0.0159023939 0.0274641259 -0.0976343353 -0.1266184428 -0.1864169794 -0.1631206731 -0.0745985190 0.1089461690 -0.0445792553 0.0246746268 0.0290959387 0.1961882059 -0.4140257604 -0.1977299002 0.3162276449 0.1754502580 -0.2526457397 -0.0018394644 -0.0055824098 -0.0119142588 0.0006907615 -0.0003129303 0.0040614350 -0.0090063739 0.0309980898 0.0799256011 0.0139164471 0.0158975410 0.0372904156 -0.0307689491 0.3748529952 -0.0384637854 0.1307407137 -0.3194409875 -0.4619789072 -0.3729619247 -0.3888635573 -0.0540080304 -0.0223584833 0.0328205830 0.0017690837 0.2313182417 -0.1794295769 -0.1021112571 0.1799643771 -0.0113858036 0.2136633968 -0.0113707662 -0.0050791520 -0.0006428254 0.0383915796 -0.0385906634 -0.0225732244 0.0548087923 0.0481082652 0.0307859903 0.0001160725 -0.0015619033 0.0001540474 -0.0110518149 0.0035679706 -0.0142392932 0.0066658234 0.0110318388 -0.0087882796 0.0030866702 -0.0051588619 -0.0025100756 0.0023235472 -0.0010206278 0.0002913230 -0.0051004985 0.0000294960 0.0043664307 0.0028104064 -0.0044839862 -0.0057952933 -0.0001729473 -0.0000154789 0.0015078097 0.0057159495 -0.0046986580 -0.0088671713 -0.0030012608 0.0065932407 -0.0078471746 -0.0004599752 -0.0006138710 0.0012057628 0.0060218061 -0.0034702554 -0.0087327822 -0.0020266399 0.0087908743 -0.0077194697 -0.0006458704 -0.0005846808 -0.0007542585 0.0001909067 0.0051304997 -0.0031999554 0.0012259786 0.0043986808 0.0062716763 -0.0010925312 -0.0001635699 -0.0015692381 0.0213318124 0.0108813787 0.0026516328 -0.0163999490 0.0025272113 0.0047597190 0.0134257776 -0.0136075882 0.0180814886 -0.0001051022 0.0003953716 0.0019267278 -0.0057985992 0.0074319654 -0.0004484071 0.0154615348 -0.0206698574 -0.0045160197 -0.0004126475 0.0050593408 -0.0053868524 -0.0406846756 0.0253955581 -0.0056972855 -0.0341631476 -0.0358230585 0.0820778044 0.0698234119 -0.0466818292 0.0247159423 -0.0034425943 -0.0029457812 -0.0054334505 0.0160170775 0.0251182798 0.0328064855 0.0284531790 0.0117758136 -0.0192507862 0.0085926226 -0.0048623269 -0.0058581211 -0.0379130806 0.0808740652 0.0390445718 -0.0622152117 -0.0341258108 0.0485601947 -0.0002536316 0.0017491189 0.0036128775 0.0006157077 -0.0002467830 -0.0015617494 -0.0001861968 -0.0077747111 -0.0163619888 -0.0243492454 0.0134945706 0.0214259275 0.4218247753 0.1347674335 -0.3042650657 -0.1168830870 -0.0558439417 -0.4414729436 0.1396196477 -0.1865904399 0.2984095871 0.0294352504 -0.0308967741 0.0324753169 -0.2632416977 0.1869889837 0.1637826294 -0.2880902239 0.0807234721 -0.3200911052 0.0133716813 0.0082732839 -0.0025606306 -0.0548609080 -0.0180746823 0.0540692599 -0.0501458598 -0.0107381262 -0.0459273576 0.0006628401 -0.0020094385 -0.0044267300 0.0127042890 -0.0036329403 0.0167428954 -0.0171323355 0.0064313936 0.0079684168 -0.0023079858 0.0014210051 0.0048239735 -0.0013778013 0.0002847400 0.0002495013 0.0072494505 0.0027483359 -0.0052914712 -0.0002861803 0.0027852656 0.0037912866 -0.0002976409 -0.0004049056 -0.0052253029 -0.0146720577 0.0183321379 0.0309268091 0.0071159586 -0.0239596789 0.0255741026 0.0004565808 0.0005170610 0.0019835762 0.0046881150 -0.0060271405 -0.0109366055 -0.0032810468 0.0089167787 -0.0080845230 0.0014697526 0.0038232382 0.0031165910 0.0036237586 -0.0311607217 0.0145053440 -0.0085208604 -0.0206484694 -0.0319643070 0.0032138903 -0.0002095653 0.0036304490 -0.0552900918 -0.0261315921 -0.0014992952 0.0419548767 -0.0007648418 -0.0140782291 -0.0353607518 0.0357793051 -0.0487058858 0.0002120726 0.0002330071 -0.0027710828 0.0027818054 -0.0035610837 -0.0001126560 -0.0079770740 0.0120409857 0.0018690761 -0.0004305986 -0.0000419984 0.0000411114 0.0051399846 0.0030071616 -0.0016593503 -0.0005334012 -0.0033600198 -0.0015499964 0.0021248022 0.0015092422 0.0040524909 -0.0004388017 -0.0001407508 -0.0002521344 0.0011642231 0.0008039143 0.0018869871 0.0016762674 0.0005827942 -0.0010434952 0.0000846558 0.0000113526 0.0001235835 -0.0002796067 0.0000240176 -0.0002550860 -0.0001998115 0.0000124823 -0.0001207911 0.0003601412 -0.0001839951 -0.0004705179 -0.0003493798 0.0001280017 0.0002954705 0.0005426093 0.0003319294 -0.0001004708 0.0049109629 -0.0003158600 -0.0017366834 -0.0687919063 0.0007105440 0.0458391091 0.0283630266 -0.0114413289 0.0408245995 -0.0451427819 0.0023965591 -0.0486755152 -0.0014449761 0.0047060481 -0.0036658169 0.0260732198 -0.0238861020 -0.0131997541 0.0289602543 -0.0108914826 0.0329505870 -0.0013381968 -0.0015262433 0.0009701440 0.0005077454 0.0054099018 -0.0026172399 -0.0008077926 0.0025318307 -0.0009605126 0.0007674831 -0.0011735956 0.0011695618 -0.0101057975 0.0023773652 -0.0139299308 0.0101579369 0.0068609350 -0.0089480777 -0.0003292262 0.0011663506 0.0032824355 0.0017940618 -0.0031151157 -0.0018550919 0.0073744527 0.0259156556 -0.0156107713 0.0013447778 0.0128630598 0.0250581714 -0.0020722916 -0.0018382860 -0.0194347442 -0.0535108790 0.0750903467 0.1244504867 0.0046364045 -0.1089733808 0.0950467856 -0.0090828040 -0.0087920158 0.0368440577 0.1637169653 -0.1051869698 -0.2433545274 -0.0494407433 0.2430607973 -0.1995197494 0.0135050047 0.0279087819 0.0242272915 0.0169772555 -0.1989251045 0.1057497241 -0.0601535686 -0.1370621339 -0.2097026875 0.0250782395 -0.0035515860 0.0262849546 -0.4210029030 -0.2003489129 -0.0102515655 0.3172585443 -0.0074955164 -0.1070598990 -0.2739531415 0.2786058219 -0.3633475724 -0.0000480843 0.0002048785 -0.0020327711 0.0004563465 -0.0017862593 0.0008291118 -0.0068388898 0.0075224189 0.0020538051 0.0004641878 -0.0001422911 0.0005510881 -0.0022985353 -0.0046920415 0.0023210592 0.0029483663 0.0052185015 -0.0046289706 -0.0071088219 0.0006773244 -0.0067629522 0.0003628258 0.0001091373 0.0003184370 -0.0008025387 -0.0009446583 -0.0014963301 -0.0014669105 -0.0003124424 0.0009813334 -0.0004531876 0.0000831797 0.0001331264 0.0016481224 -0.0033151244 -0.0014422121 0.0020335201 0.0012861429 -0.0022312371 0.0004025829 0.0000714232 0.0001702798 -0.0001394196 0.0000284494 0.0000940515 -0.0007751002 -0.0012993446 -0.0014812289 -0.0346201554 -0.0182732980 0.0099694402 0.3741999368 -0.0771612542 -0.2359967675 -0.2201336386 0.1579264623 -0.0813245484 0.3425137572 0.1553090113 0.2345406249 -0.0624711832 0.0022465086 -0.0066955190 0.3121990278 -0.1309284866 -0.2207348710 0.2967851100 0.0334286079 0.2990623078 -0.0057950526 0.0091197424 -0.0067992974 0.0659183786 -0.0387490336 -0.0401492625 0.0735968072 0.0050800951 0.0645748506 -0.0034776825 0.0009594062 0.0005459977 0.0209182804 -0.0155626230 0.0221658126 -0.0110478866 -0.0151995822 0.0118768888 0.0023519588 -0.0027919734 -0.0086168799 0.0023204191 0.0009352300 0.0006730727 -0.0167490723 -0.0161410670 0.0175504836 0.0019641789 -0.0110757630 -0.0187846360 -0.0005281507 0.0004235970 0.0314532403 0.0997340167 -0.1174552019 -0.2012764658 -0.0532026222 0.1502390323 -0.1706130261 -0.0121158556 -0.0116216239 0.0104758494 0.0807534127 -0.0226856835 -0.0759148177 -0.0038696806 0.0986038124 -0.0693029412 0.0034084832 0.0045503374 0.0032845625 0.0055604729 -0.0076209077 0.0074068069 -0.0060405748 -0.0093600048 -0.0141201134 0.0033297175 0.0001487915 -0.0005369958 -0.0347674909 -0.0204275497 -0.0099984423 0.0083689400 -0.0220537827 0.0027005343 -0.0214212309 0.0303488998 -0.0012672341 0.0000368738 -0.0005148006 0.0054796461 -0.0037777783 0.0061198751 -0.0004911642 0.0122523691 -0.0205285291 -0.0038621814 0.0008672104 0.0006420726 -0.0017263307 -0.0206348945 0.0051781076 0.0000666845 -0.0075381062 -0.0018336473 0.0254214366 0.0138194829 -0.0114615965 0.0018578280 0.0005298752 0.0001685015 -0.0005497030 -0.0010512125 0.0010474716 -0.0014202936 -0.0013986470 -0.0022649008 0.0005804529 0.0005960579 -0.0000958449 -0.0004464829 -0.0031276643 0.0065276979 0.0028352056 -0.0039913317 -0.0026988177 0.0053301755 -0.0005686132 -0.0003004367 -0.0001790456 0.0003152786 -0.0000581317 -0.0001942796 -0.0000342960 0.0011176024 0.0034127262 0.0136686200 0.0082492985 -0.0045007987 -0.1435547607 0.0289318370 0.0904103273 0.0879085973 -0.0630191532 0.0282727302 -0.1330262417 -0.0665489519 -0.0868360836 0.0293782315 -0.0035766478 0.0047490384 -0.1566227141 0.0732771639 0.1074422271 -0.1511400813 -0.0099446165 -0.1546421255 0.0029360487 -0.0029733989 0.0013855476 -0.0232173757 0.0105528910 0.0145434958 -0.0238192163 -0.0118658382 -0.0160138777 -0.0028651213 0.0053398627 0.0018427979 0.0054100098 -0.0061706181 -0.0024311897 0.0010374781 -0.0042430894 0.0020744338 0.0065821778 -0.0118781868 -0.0142431058 0.0056382708 0.0019755284 0.0024299425 -0.0424285539 -0.0378996256 0.0441205168 0.0099138818 -0.0284583134 -0.0499263673 -0.0010132912 0.0010330122 0.0762740508 0.2415077164 -0.2861840614 -0.4895038660 -0.1232041919 0.3683935988 -0.4125685106 -0.0268438540 -0.0255422446 0.0181044223 0.1594446434 -0.0347411284 -0.1338751951 -0.0012979841 0.1859898190 -0.1263744833 0.0070140879 0.0094120704 0.0055225843 0.0146100706 -0.0084571966 0.0094489938 -0.0113814338 -0.0143724258 -0.0219132621 0.0061400448 0.0024301846 -0.0042722543 -0.0465957649 -0.0360943308 -0.0355882587 -0.0160388004 -0.0712468106 0.0243633049 -0.0241998139 0.0500502764 0.0447189643 -0.0005556465 -0.0006842188 0.0100751127 -0.0119022621 0.0179939756 -0.0021414029 0.0395774162 -0.0554304128 -0.0126443129 -0.0017644251 -0.0002878181 0.0004777663 0.0252416220 0.0025197633 -0.0043574097 0.0018128720 -0.0081861028 -0.0166239733 -0.0003655925 0.0115154263 0.0119395161 -0.0014204653 -0.0009462105 0.0004553766 0.0016090129 0.0021506892 0.0055497431 0.0061210515 0.0049302802 -0.0034316367 -0.0003498212 0.0003468971 0.0001463394 0.0072970748 -0.0074834398 0.0000151651 0.0043370933 0.0029075824 -0.0062018646 -0.0008121183 0.0008559864 0.0012333269 0.0008839784 -0.0003623064 -0.0007589947 -0.0045082678 -0.0032251867 0.0007649731 0.0003485152 0.0003592692 -0.0000268181 -0.0033762002 0.0027364351 0.0016732323 0.0030208586 -0.0033981484 -0.0020229825 -0.0049340147 -0.0042751295 -0.0017193798 0.0009412998 -0.0001664117 0.0003677084 -0.0041575641 0.0018379927 0.0033312163 -0.0043612722 0.0007780397 -0.0049831809 -0.0000995146 0.0002775914 0.0002235038 -0.0023702694 -0.0000178043 0.0018457225 -0.0031149625 0.0019743827 -0.0034400123 0.0020830882 -0.0029913862 -0.0006666527 -0.0065046198 0.0066949674 -0.0013996337 -0.0007769574 0.0064882006 -0.0012664606 -0.0041420691 0.0064244629 0.0025807691 -0.0012860756 -0.0002121155 -0.0024073405 -0.0116103222 -0.0069707698 0.0055849726 -0.0003952908 0.0021837367 0.0019029988 0.0025199945 0.0036635144 0.0144065966 0.0238940400 -0.0511252342 -0.0790206637 -0.0492998637 0.0362097519 -0.0651835901 0.0034401574 0.0027092718 -0.0010050660 0.0187241509 0.0080034010 -0.0027233697 -0.0134365361 -0.0059009288 -0.0128832777 -0.0162156609 -0.0450745953 0.0022821064 -0.0378027959 0.2188622133 -0.0788897686 0.1396882453 0.1000744841 0.1448761448 -0.0146629226 -0.0410091703 0.0172323851 0.0582422014 0.1949002167 0.4101556412 0.1843141681 0.5939652376 -0.2356441359 -0.0199275655 -0.1294304257 -0.4478973911 0.0004841457 -0.0002226907 -0.0016386433 0.0051732347 -0.0067011697 -0.0000571284 -0.0104839578 0.0160892077 0.0034650569 0.0001850676 -0.0003622673 0.0000745028 -0.0011077854 0.0011030961 -0.0002537992 0.0005439189 0.0017524370 0.0002659030 -0.0012755090 0.0008019830 -0.0004686612 0.0005068045 0.0005711537 0.0002083852 -0.0020794442 -0.0025364962 -0.0044939731 -0.0035957360 -0.0034817068 0.0026140964 -0.0006410137 0.0006033844 0.0004631755 0.0019720713 -0.0049247483 -0.0030738790 0.0051362933 0.0019457510 -0.0006036327 -0.0001486692 -0.0010477552 -0.0016747322 -0.0001725644 0.0001772801 0.0005874283 0.0020533010 0.0041260980 0.0059012234 -0.0013554448 -0.0004407601 -0.0006806823 0.0199069288 -0.0178526609 -0.0097812132 -0.0123301312 0.0163981129 0.0075528773 0.0264530787 0.0148338257 0.0144946067 0.0001234478 -0.0030091020 0.0011880538 -0.0149572641 0.0222157797 0.0023122231 -0.0179273827 0.0041374008 -0.0195852550 0.0009288166 -0.0007499047 -0.0073196589 0.0431987938 -0.0311897712 -0.0268369966 0.0621210033 -0.0575048499 0.0833626408 -0.0445152395 0.0606199246 0.0224277512 0.1075493486 -0.1493343743 -0.0249405364 0.0439181814 -0.0962435894 0.0003332038 0.0955361543 -0.1567130309 -0.0846212836 0.0629748161 -0.0438835481 -0.0161604848 -0.1957409667 0.0898888180 0.0762212907 0.0777966377 -0.0425274158 -0.0213453927 0.0079188646 0.0099738077 -0.0046852340 -0.0540997607 0.0570101175 0.1020150971 -0.0596334144 -0.1374527928 0.0796465073 0.0008793816 0.0049025043 -0.0087826464 -0.0336636477 0.0169281924 0.0357135271 0.0019728688 -0.0514349652 0.0359406652 -0.0015033234 -0.0036181116 0.0005526173 0.0047067534 0.0084794804 -0.0079531125 0.0056285916 0.0010994400 0.0043226330 -0.0011367515 -0.0022754216 0.0037908085 -0.0040675624 0.0095195719 0.0277483390 0.0319205276 0.0485622871 -0.0242451109 -0.0058702130 -0.0087928680 -0.0535880727 -0.0089862736 0.0030400868 0.0574900135 -0.1460731149 0.1973280030 -0.0005522059 0.3613857908 -0.4794904705 -0.0993247448 -0.0267818192 -0.0019167700 0.0030284637 0.3670884696 0.0579844889 -0.0729691290 0.0074912201 -0.1506371205 -0.2029563748 0.0397208703 0.1586355468 0.2082890079 -0.0221107316 -0.0121290952 0.0012124174 0.0399146411 0.0224071638 0.0856822243 0.0831043100 0.0650326748 -0.0515988280 0.0052639039 -0.0044044670 -0.0026341674 0.0361195438 -0.0118846692 0.0258777250 -0.0295753379 0.0035113170 -0.0517742888 -0.0025574248 0.0195163603 0.0294599000 0.0086712170 -0.0052727920 -0.0130405579 -0.0649765175 -0.0793802188 -0.0686845386 -0.0005476420 -0.0003600990 0.0007462741 0.0035813089 0.0086894858 -0.0040080645 -0.0011094898 -0.0041178639 -0.0094949535 -0.0024792310 -0.0046260665 0.0015569620 -0.0016002115 0.0010235822 0.0017696428 0.0242605470 -0.0042771735 -0.0134346337 0.0152897085 0.0010931961 0.0173273070 -0.0096519103 0.0058718315 -0.0008237390 0.0350433543 -0.0595689693 -0.0094409989 0.0318455106 0.0288587518 0.0208523956 0.0139886645 -0.0237917728 0.0020260206 -0.0834390464 0.0347135757 -0.0827098098 0.0333318204 0.0884807881 -0.0503584405 -0.0288270442 0.0418409404 0.0261939840 -0.0172848221 0.0117374308 0.0050762244 0.0537586004 -0.0232661354 -0.0204001807 -0.0173546268 0.0107741931 0.0028666311 -0.0018149135 -0.0028575743 -0.0008940116 0.0060811456 -0.0080772034 -0.0135792069 0.0205669381 0.0275121820 -0.0096922964 0.0003639012 -0.0008250390 0.0023838682 0.0077536893 -0.0048253899 -0.0095979457 -0.0025497474 0.0118190792 -0.0100776621 0.0002335877 0.0005296816 -0.0002652377 -0.0018389552 -0.0009970776 0.0015698307 -0.0008949177 0.0004498794 0.0001983871 0.0002597936 0.0004828312 -0.0008134872 0.0010965558 -0.0017875053 -0.0056556475 -0.0072260829 -0.0100561273 0.0052975978 0.0013941838 0.0015639052 0.0113507651 0.0033130673 -0.0005253770 -0.0175692665 0.0386721360 -0.0524595714 -0.0003116467 -0.0916807714 0.1243514256 0.0251157392 -0.0468768702 -0.0104175327 0.0035640780 0.6430956513 0.1783132950 -0.1568499346 -0.0004090808 -0.2768617293 -0.3088826762 0.1093796057 0.2849308910 0.4155320403 -0.0300877452 -0.0035965440 -0.0012026928 0.0469219821 -0.0251100519 0.0548138448 0.0658861101 0.0186189677 -0.0338674202 0.0074083373 -0.0000866956 0.0014059674 0.0051685662 0.0134446392 0.0142936016 -0.0194997763 -0.0077199543 0.0070496715 0.0046412749 -0.0050803518 -0.0123028602 -0.0061066411 0.0028078771 0.0073764046 0.0152173889 0.0137791806 0.0058385227 0.0025332166 0.0002753057 -0.0024421780 -0.0023427343 0.0042543106 -0.0002909619 -0.0051874507 0.0061110196 -0.0058740110 0.0016718157 -0.0120198649 0.0073309897 -0.0077641609 -0.0025573263 0.0000591790 0.0264040217 -0.0220074037 -0.0147539081 0.0467208357 0.0613707598 0.0105304006 0.0077968745 -0.0011863187 0.0073217325 -0.0337771442 0.0312445863 0.0338759683 -0.0495169937 0.0114693423 -0.0489562617 -0.0113806785 0.0179218006 -0.0173884769 0.1126367137 -0.1846794863 -0.1214490420 0.0978150466 -0.0594018627 -0.0857008996 0.0030099569 -0.0716370214 0.2885421130 0.0044982848 0.0035040077 0.0059321158 0.0120386800 -0.0094842697 0.0156336993 0.0078976183 -0.0216411656 -0.0379944817 -0.0041239633 -0.0058197060 0.0030587875 0.0668297308 -0.0049952425 -0.0303216095 0.0072439461 0.0429409444 -0.0362710580 0.0007103078 0.0025280306 0.0000934741 -0.0096115330 -0.0067092828 -0.0050676004 -0.0011558311 -0.0051092113 0.0039650793 0.0000753498 -0.0005472427 -0.0005246350 -0.0035877612 0.0032042022 0.0007513113 0.0034630427 0.0024650227 0.0032142266 -0.0002162780 0.0002061854 -0.0001562556 0.0004330732 0.0001093213 -0.0003292666 0.0001858662 -0.0016319961 0.0003482274 0.0007426445 -0.0003320134 0.0011044454 -0.0020051620 0.0385867511 -0.1657451117 -0.0228482017 -0.0114212288 -0.0423355529 -0.0681696718 0.1672583149 -0.0224900338 0.0016862484 0.0045750863 0.0059772070 0.0459724187 -0.1157734753 0.0396754853 0.0314693443 0.0060227458 -0.1036079980 -0.0855582362 0.0169443183 -0.0707220629 -0.0172409940 0.0021614920 0.0086822093 0.0512570551 0.0069731422 0.0936344756 0.1241958853 0.0385183484 -0.0367514280 0.0150340454 -0.0308220933 -0.0093750157 0.0022543481 -0.1355698082 -0.1413825861 -0.0073905531 0.0542416453 -0.3161362458 -0.2132195223 0.1986370829 0.3536498024 0.1676854435 -0.1053571347 -0.2015908249 -0.1275024698 -0.0740359390 -0.4592062792 -0.0021610115 -0.0004829082 0.0033039375 0.0042979419 -0.0057728450 0.0007560653 0.0005544624 -0.0019925634 0.0060134348 -0.0002468250 0.0166062573 -0.0101004882 0.0066937406 0.0026997144 0.0002705968 -0.0366977342 0.0294700863 0.0157952161 -0.0653508322 -0.0846768991 -0.0107860718 0.0037366475 0.0107056261 -0.0212378385 0.0286150692 -0.0536599608 -0.0323361306 0.0679848742 -0.0645316048 0.0784746801 0.0195272559 -0.0436161970 0.0317583360 -0.0082525811 0.0795350020 0.1112440609 -0.1736573187 0.1097882988 0.1346150898 -0.0866081792 0.2608289089 -0.5375225050 -0.0038450308 0.0115681977 -0.0165172676 -0.0239685211 0.0404924024 -0.0401073723 -0.0739368714 0.0787956026 0.1410408664 0.0021460037 0.0061096464 -0.0037946724 -0.0973350005 -0.0010902742 0.0299338510 -0.0142349801 -0.0592700361 0.0397701372 -0.0029368693 -0.0047707130 0.0004705765 0.0108166919 0.0097670805 0.0148532996 0.0309480809 0.0224387380 0.0106242110 0.0004783002 0.0023064396 0.0003936185 -0.0008139623 -0.0045330243 0.0053443176 -0.0072017515 -0.0006891591 -0.0034329698 -0.0009037197 -0.0017944352 0.0003614130 0.0025390058 0.0001769994 0.0011951682 0.0044744112 0.0054538180 -0.0040682980 -0.0034665022 0.0036678754 -0.0016458492 0.0120189424 -0.0889053045 0.3116951028 0.0815855870 -0.1392214771 0.0728704709 -0.0560416164 -0.1338534591 0.1083373560 -0.0022863103 0.0062925262 -0.0046242831 0.0269528864 -0.0264943477 0.0051204931 -0.0162510968 -0.0579276768 0.0047551136 0.0481764053 -0.0113980943 0.0316712492 -0.0144664226 0.0070471609 0.0077631804 0.0237990047 -0.0072846038 0.0414759749 0.0997160599 -0.0065708776 -0.0183546724 0.0272355646 -0.0185290144 -0.0215330315 -0.0457286472 0.0656510224 0.0262288651 -0.0625814445 -0.0184023751 -0.0705593365 -0.2185906123 0.1275452252 0.2576548607 0.1503926368 -0.0846780108 -0.1634820886 0.0263024877 0.1320542768 -0.2249801095 0.0000405369 0.0000783277 -0.0000141843 0.0000892303 0.0000113447 0.0002140664 -0.0007015496 -0.0005043919 0.0002146639 0.0002716879 -0.0002307346 -0.0003231924 0.0000644591 0.0000209755 0.0000423710 -0.0006151087 -0.0001743352 -0.0008574829 -0.0003978825 0.0001317850 0.0002962559 0.0000838159 0.0000552733 -0.0000311652 -0.0002221334 -0.0004052154 -0.0002314015 -0.0000898682 -0.0000070580 0.0002529842 -0.0012156298 -0.0012636354 0.0012103908 0.0191233748 0.0103167048 -0.0119816749 -0.0034423331 -0.0010164360 -0.0040986477 -0.0004347258 -0.0002042537 0.0001156775 -0.0000073218 -0.0016723153 0.0004453490 0.0032863179 0.0019062565 0.0034501263 -0.0012472652 0.0165552976 -0.0107490691 0.0003668277 -0.0003200020 0.0000544203 -0.0019546914 0.0011738533 -0.0006899610 0.0003242076 0.0002879802 -0.0001270887 0.0000498981 -0.0001859328 0.0001418156 -0.0007322967 0.0023057817 -0.0015846833 -0.0003688390 -0.0002166573 -0.0003834177 0.0000118285 -0.0000593684 -0.0000188552 0.0000461815 0.0000816714 0.0002521759 -0.0002351647 0.0003588614 -0.0001601024 0.0000068546 -0.0000243383 0.0000101931 -0.0000854817 0.0002913393 -0.0001320639 0.0000292213 0.0000326744 0.0000149832 0.0000587772 0.0000186166 -0.0000135124 0.0002089233 0.0000650046 0.0000544245 0.0013195758 0.0000560881 0.0009510625 0.0003550803 0.0008460206 -0.0069745256 -0.0003628241 0.0003080291 -0.0002990149 0.0014596252 -0.0018084393 0.0019158494 0.0053686632 -0.0012571182 0.0005948467 -0.0016506015 -0.0014227473 0.0007969639 0.0001542008 -0.0008297181 -0.0001198006 0.0026557563 0.0036185989 -0.0013866272 -0.0004699898 0.0030541855 0.0052346865 0.0021253918 -0.0045278157 -0.0015483299 -0.0082749949 -0.0106721541 -0.0000085302 -0.0157392281 0.0745250784 0.0155064383 -0.0543181302 0.0583823507 -0.0264988652 -0.0014017327 0.0008323833 0.0025307571 0.6426173189 -0.7051657324 0.2742550971 -0.0001158572 0.0003064300 -0.0000704052 0.0016183427 0.0007145926 0.0025218375 -0.0027187964 -0.0023831013 0.0009590386 0.0024718321 -0.0017952231 -0.0026879095 0.0000179157 0.0000025497 -0.0000197678 -0.0001177667 -0.0000724770 -0.0000609973 -0.0002105358 -0.0000002527 0.0001754294 -0.0002031844 0.0000806085 -0.0000211862 0.0012362334 0.0005120230 0.0016208366 0.0010265176 -0.0005163242 -0.0011421757 -0.0011029818 -0.0012954306 0.0022130360 0.0248585878 0.0194317254 -0.0130335509 -0.0117629018 -0.0040416688 -0.0137295837 0.0003873633 -0.0004056725 0.0009869979 -0.0014170706 0.0680766480 -0.0031077246 -0.1983439648 -0.1184622386 -0.3801617301 0.2139220123 -0.6939753355 0.4212267981 0.0104062546 -0.0106950914 -0.0149250211 0.0129713747 -0.0292684200 0.0144426287 -0.1451801466 0.1599932875 0.1599207892 0.0000129200 -0.0030847200 0.0050516410 -0.0223550117 0.0571346913 -0.0325211712 0.0256452825 -0.0218888314 -0.0270074135 -0.0000998386 0.0001475589 -0.0004719626 0.0016063495 0.0012605393 0.0039358100 0.0008647345 -0.0044944996 0.0020013179 0.0001651003 0.0004841077 0.0011217135 0.0014605735 -0.0040146757 0.0022209958 -0.0068250060 -0.0040008865 -0.0152122896 0.0037730837 0.0033419625 0.0001549345 -0.0000981664 -0.0000386289 -0.0004442453 0.0001665901 0.0000906001 0.0018470325 -0.0037121518 0.0025978067 -0.0273532681 -0.0003686613 0.0001762755 -0.0002037802 0.0000308257 0.0001654421 0.0000465341 0.0056353794 -0.0013129076 0.0015432242 -0.0010494924 -0.0008417531 0.0010610682 0.0014390913 0.0016499521 0.0019211941 -0.0093518132 -0.0079720915 0.0115119398 -0.0085080485 -0.0118891885 -0.0348513314 0.0025611097 -0.0053173226 -0.0034037239 -0.0143764515 -0.0149270022 0.0125288671 -0.0142908265 0.0770233288 0.0248741253 0.0001304324 0.0011485748 -0.0003646349 -0.0002220603 -0.0000639218 0.0002077860 0.0041299280 -0.0102860366 0.0032469718 0.0010386695 -0.0016118711 0.0001081124 -0.0087969395 -0.0044864114 -0.0133921690 0.0136270430 0.0108335363 -0.0048858452 -0.0159509294 0.0102456941 0.0177672819 0.0022442225 -0.0004423684 0.0001836617 -0.0099690636 -0.0041637386 -0.0168552534 -0.0166934646 0.0114641040 0.0184577425 -0.0216381273 0.0088886631 0.0150013056 0.0371473283 0.0214955992 0.0652135515 0.2153662189 -0.1410924118 -0.2405708327 0.0179125199 0.0276333541 -0.0580840980 -0.5538578715 -0.4321210201 0.2865026617 0.3344063748 0.1175549760 0.3978647833 0.0003622168 -0.0003137459 -0.0010965589 0.0000573311 0.0019848011 0.0000656905 -0.0062035438 -0.0037260755 -0.0115424115 0.0063438445 -0.0203187486 0.0119439218 0.0007608587 -0.0006413678 -0.0012033300 0.0016042370 -0.0042704892 0.0025177724 -0.0105716702 0.0116900882 0.0116949338 0.0000096508 -0.0000700267 0.0001271065 -0.0006502865 0.0015139389 -0.0008035775 0.0009030275 -0.0010071374 -0.0010468473 0.0000391240 0.0002672066 0.0001112958 -0.0013343857 -0.0009287176 -0.0026317533 0.0010228602 -0.0023326826 0.0012536079 -0.0000846256 0.0000672918 0.0001253451 0.0005064004 -0.0013788106 0.0006958668 -0.0009053200 -0.0005469443 -0.0019405699 0.0014204255 0.0011643077 -0.0001920613 0.0000881353 -0.0000271045 0.0008533577 0.0006504132 0.0005748993 0.0011066298 -0.0019959789 -0.0006162430 -0.0164628454 -0.0000419662 0.0003117569 0.0003702508 -0.0014090687 -0.0026868872 -0.0045568407 0.0033484796 -0.0004382223 0.0010403697 -0.0012305671 -0.0010924227 0.0001490472 0.0004385388 0.0004567066 0.0002489130 -0.0034325867 -0.0028393383 0.0044007169 -0.0015814409 -0.0022535008 -0.0068164293 0.0008894034 -0.0010119007 -0.0010228017 -0.0056325089 -0.0065425448 0.0051996207 -0.0032328932 0.0187746001 0.0059635663 -0.0025949115 0.0013858184 0.0008070002 0.0007565085 -0.0002499850 -0.0007436556 0.0138313887 -0.0137555052 0.0030881878 -0.0000886134 0.0001416047 0.0000041828 0.0007083739 0.0003127048 0.0010958947 -0.0011008195 -0.0009931403 0.0003944136 0.0014150491 -0.0010314467 -0.0015402016 -0.0001958444 -0.0000235400 -0.0001484967 0.0017300939 0.0007331560 0.0024809749 0.0006325792 -0.0004486336 -0.0007239297 -0.0001498912 0.0000898631 0.0001022362 0.0002105292 0.0000968235 0.0003703770 0.0015394406 -0.0010553420 -0.0016677535 -0.0001141314 -0.0001582502 0.0002840064 0.0027515820 0.0022289563 -0.0014770081 -0.0014378657 -0.0004881590 -0.0017872177 0.0000285651 0.0000830952 -0.0000549931 0.0009011321 0.0008588294 0.0010911161 -0.0111914870 -0.0079895030 -0.0197831760 0.0000479122 -0.0087597468 0.0047028884 0.0097853048 -0.0093594176 -0.0102832493 0.0032578938 -0.0028958738 -0.0019644634 -0.1182438874 0.1218784001 0.1247233124 -0.0096193059 0.0472873066 -0.0536794160 0.3122428908 -0.7306752862 0.4457106328 -0.1902747626 0.1644239712 0.1908091529 0.0046120980 0.0009366753 0.0109082101 -0.0549214372 -0.0394435644 -0.1148140230 -0.0119921486 0.0307646765 -0.0140796474 0.0000211450 -0.0003532650 0.0003772814 0.0015218677 0.0018001821 -0.0033239634 -0.0000804972 -0.0002617679 0.0005053987 0.0027326205 0.0005067064 -0.0000208993 -0.0000510512 -0.0000296411 0.0000581352 -0.0000618212 0.0000327592 0.0005722429 -0.0000597637 0.0009495378 -0.0053555029 -0.0001944880 0.0001210800 -0.0001021581 -0.0001267083 -0.0000920040 -0.0004560240 0.0033009776 -0.0006649731 0.0009376420 -0.0008839944 -0.0006771459 0.0007652355 0.0005191021 0.0005828793 0.0007772299 -0.0030179586 -0.0025051558 0.0036487552 -0.0032167802 -0.0044164925 -0.0128790116 0.0004460889 -0.0007172781 -0.0005635257 -0.0030298748 -0.0034130203 0.0028228796 -0.0020490753 0.0117728430 0.0037117681 -0.0000349517 0.0001381166 -0.0000744414 -0.0000319796 0.0000014353 0.0000394456 0.0011458047 -0.0014393402 0.0003899606 0.0000666963 -0.0001771064 0.0000542407 -0.0009721691 -0.0004556439 -0.0015616037 0.0016350860 0.0013856439 -0.0005932293 -0.0013982840 0.0009629892 0.0015688853 -0.0000342383 -0.0000058040 -0.0001437127 0.0007458183 0.0002679755 0.0011930326 -0.0005051390 0.0001455894 0.0004078380 -0.0016580439 0.0006043959 0.0007048721 0.0050354908 0.0023257839 0.0075710980 0.0146443899 -0.0096668687 -0.0160779671 0.0000379794 0.0001595158 -0.0005420925 -0.0042403019 -0.0035793567 0.0020113381 0.0039097793 0.0015397003 0.0048522576 -0.0001417666 -0.0000277614 -0.0004968101 -0.0009726168 0.0054719835 -0.0016056634 -0.0082016878 -0.0043833803 -0.0173569882 0.0189014764 -0.0605107042 0.0367699648 0.0018436835 -0.0017535584 -0.0026864916 0.0022830364 -0.0062611308 0.0033744229 -0.0250021561 0.0271231303 0.0272682736 -0.0001896552 0.0005873220 -0.0004137022 0.0034740104 -0.0077776265 0.0049575714 -0.0006252191 0.0005235028 0.0004422937 0.0000322390 -0.0001673334 -0.0000030526 0.0002765004 0.0001814355 0.0006787231 -0.0008006093 0.0015817991 -0.0008894804 -0.0001059776 0.0001313966 0.0002460932 0.0009038864 -0.0021495840 0.0010547110 -0.0015671023 -0.0009222967 -0.0035919753 0.0020161389 0.0016309400 -0.0002578308 -0.0000398801 -0.0000480910 0.0002224639 0.0000264866 -0.0001903779 0.0003881467 -0.0000217722 0.0002239412 -0.0034120845 0.0099397257 -0.0077411382 0.0053368101 0.0089361241 0.0101759486 0.0382397070 -0.1851429735 0.0366232373 -0.0526634097 0.0593236010 0.0445360870 -0.0507242829 -0.0283181693 -0.0311612811 -0.0378728081 0.1728132373 0.1441203218 -0.2078253545 0.1654449037 0.2255735881 0.6584156545 -0.0179649331 0.0299815803 0.0237411487 0.1276701587 0.1418313328 -0.1175493219 0.0860995670 -0.4975480545 -0.1594939323 -0.0021886607 0.0030892039 -0.0011739809 0.0002017568 -0.0001621818 -0.0000078024 0.0236299968 -0.0298852756 0.0120409780 -0.0183980147 0.0397304832 -0.0103997382 0.2327801860 0.1008549446 0.3603363282 -0.3564395169 -0.3158874793 0.1273182363 0.3406118022 -0.2460728030 -0.3692876435 -0.0080747400 -0.0027617959 -0.0057487044 0.0735858613 0.0350859323 0.1066423123 0.0235464059 -0.0176494358 -0.0315029068 0.0176083666 -0.0073375698 -0.0078899796 -0.0506761125 -0.0242514883 -0.0816642371 -0.1592251225 0.1080522479 0.1755254041 0.0026213044 0.0045281333 -0.0097334558 -0.0861005279 -0.0678944297 0.0455211343 0.0554645208 0.0183740168 0.0670911743 0.0000383743 -0.0000621359 0.0001691274 -0.0013755873 0.0076808737 -0.0030713939 -0.0079166192 -0.0041205448 -0.0124667752 0.0253409431 -0.0849083921 0.0507457441 -0.0104819772 0.0057937885 0.0207075243 -0.0395834783 0.1073818412 -0.0678569880 0.1659114626 -0.1755914626 -0.1773080633 0.0001466375 0.0015306063 -0.0043441942 0.0181897377 -0.0392917161 0.0244958900 -0.0235032332 0.0196704257 0.0242829632 0.0004666698 0.0017704400 0.0017383990 -0.0119344056 -0.0082384529 -0.0254165687 0.0058036410 -0.0117389049 0.0068437372 0.0013570696 -0.0016843009 -0.0019793167 -0.0106678026 0.0266826374 -0.0134677495 0.0144003365 0.0084476047 0.0331156923 -0.0196281685 -0.0162069952 0.0029142975 0.0000428292 0.0000737676 0.0000520947 0.0001877355 -0.0000883172 0.0005391713 -0.0014421449 0.0002594133 -0.0090421926 0.0001667619 0.0002784432 0.0000065916 -0.0002905430 -0.0010462991 -0.0020667380 0.0004869653 -0.0002069499 0.0001409962 -0.0018565349 -0.0013129361 0.0020973206 -0.0008473856 -0.0009341811 -0.0010462857 0.0051688529 0.0043382425 -0.0061127835 0.0047593470 0.0065542571 0.0187482511 0.0001452259 -0.0001230374 -0.0001468107 -0.0007991081 -0.0008568009 0.0008459775 -0.0005797651 0.0021405999 0.0005652247 -0.0002717255 0.0003934446 0.0000439601 0.0000259800 -0.0000279849 -0.0000430964 0.0024793767 -0.0033333410 0.0007093701 0.0064431468 -0.0133309964 0.0035100269 -0.0793790809 -0.0344554607 -0.1228472685 0.1190973952 0.1051923733 -0.0424907762 -0.1154741576 0.0830929815 0.1254120262 0.0021016787 0.0006523989 0.0005278945 -0.0149264930 -0.0079310443 -0.0214739657 -0.0105057824 0.0071971262 0.0128556447 -0.0143616643 0.0061596595 0.0071612616 0.0372857900 0.0183125724 0.0601802111 0.1327829959 -0.0889522561 -0.1460790459 -0.0020740555 -0.0030346521 0.0057118201 0.0546594229 0.0435617903 -0.0292811635 -0.0302541107 -0.0100051383 -0.0362830492 0.0003529583 -0.0003051598 0.0004625657 -0.0034809868 0.0192692450 -0.0078173599 -0.0196035801 -0.0102614020 -0.0306744315 0.0632266850 -0.2125276454 0.1272880524 -0.0270581548 0.0149706896 0.0535057558 -0.1023618360 0.2776716930 -0.1753218936 0.4283443540 -0.4537099354 -0.4579670574 0.0003911727 0.0041351565 -0.0115310384 0.0485717831 -0.1051059744 0.0653306991 -0.0624569118 0.0525650286 0.0644473943 0.0010714719 0.0035494954 0.0040946841 -0.0257486877 -0.0178618906 -0.0558672425 0.0110010522 -0.0215334708 0.0127795471 0.0043788693 -0.0046686266 -0.0054897546 -0.0313816318 0.0786532398 -0.0397153050 0.0406207638 0.0237758306 0.0930679208 -0.0604211124 -0.0498494490 0.0092915913 0.0001115214 -0.0000541935 -0.0003164888 0.0000485354 -0.0004257299 0.0008245253 -0.0025319410 0.0009669083 -0.0141470170 0.0006133157 -0.0007472391 0.0003870501 0.0010136413 0.0015821302 0.0047049007 -0.0143789949 0.0027698336 -0.0041436545 0.0059553702 0.0042575747 -0.0053130600 -0.0018155067 -0.0018518354 -0.0019314076 0.0112237787 0.0095115639 -0.0133223099 0.0093618871 0.0123381392 0.0360111927 0.0015592561 -0.0023241463 -0.0019958337 -0.0109708205 -0.0117498858 0.0104104790 -0.0073140237 0.0384983142 0.0121194267 0.0006153985 0.0002086540 -0.0001510039 -0.0002769859 0.0000418575 0.0002198519 -0.0011432409 -0.0008170179 -0.0002642468 0.0050830563 -0.0159001588 0.0031354386 -0.0782210901 -0.0336412010 -0.1211751331 0.1458088203 0.1314037414 -0.0525646731 -0.1293203450 0.0954325216 0.1380784836 0.0156722739 0.0041515932 0.0186254851 -0.1711949476 -0.0723127463 -0.2496257966 -0.0151641792 0.0145333881 0.0254556073 0.0509363404 -0.0231164511 -0.0282872155 -0.1146021970 -0.0583674915 -0.1874708932 -0.4857672037 0.3235920208 0.5320215859 0.0044847996 0.0090347444 -0.0203120032 -0.1723066938 -0.1381780082 0.0918117691 0.1155601838 0.0403054206 0.1384412427 -0.0003792447 0.0005721527 0.0000824907 -0.0006402225 0.0037693517 -0.0013353844 -0.0044240529 -0.0023144315 -0.0076369756 0.0127656480 -0.0419176883 0.0248877958 -0.0031739896 0.0014940921 0.0066623960 -0.0138281481 0.0372888598 -0.0235947561 0.0520981978 -0.0549540761 -0.0554246887 0.0001092787 0.0006131923 -0.0017939629 0.0075439307 -0.0162579376 0.0100574088 -0.0099584028 0.0083639757 0.0100590686 0.0001863407 0.0003698099 0.0006811746 -0.0035853832 -0.0025785078 -0.0079705825 0.0007730707 -0.0013911266 0.0008630709 0.0015551106 -0.0010929378 -0.0011110079 -0.0088871373 0.0221629022 -0.0111853372 0.0091000899 0.0052812787 0.0207262805 -0.0182126262 -0.0149257399 0.0031375288 0.0000033631 -0.0000929983 0.0002349680 0.0002937024 -0.0001929807 0.0005078297 -0.0010599925 0.0001696265 -0.0084117974 -0.0019287894 0.0030754813 -0.0009107360 -0.0032686330 -0.0077911689 -0.0222305880 0.0474066856 -0.0104388926 0.0136038771 -0.0206831218 -0.0159909640 0.0199979215 -0.0013009279 -0.0015641964 -0.0015813543 0.0081730557 0.0069708618 -0.0095091946 0.0071354925 0.0101925776 0.0285794668 -0.0000558364 0.0006523561 0.0002396129 0.0003453251 0.0006551564 -0.0000988869 0.0009866264 -0.0083816212 -0.0029464423 -0.0005532811 0.0006597664 0.0001556798 0.0000760322 -0.0000988915 -0.0001379330 0.0046125172 -0.0058031757 0.0011315176 -0.0001632706 0.0004570120 -0.0002354051 0.0028633610 0.0012117156 0.0045711319 -0.0042158769 -0.0040733844 0.0015755569 0.0032043253 -0.0025629649 -0.0034721285 0.0013146049 0.0000292814 0.0006218859 -0.0093444361 -0.0040672640 -0.0136683654 -0.0059360640 0.0041643790 0.0066361260 -0.0028556869 0.0016294237 0.0024018436 0.0027038331 0.0019553069 0.0055673651 0.0311687573 -0.0206935328 -0.0342021159 0.0000442734 -0.0002325068 0.0009417124 0.0069348224 0.0047524331 -0.0032162166 -0.0059711994 -0.0019470863 -0.0068587682 -0.0002563148 -0.0000522562 -0.0006526805 -0.0013791117 0.0038668414 -0.0024125248 0.0010496433 0.0014113357 0.0008930230 0.0144762179 -0.0464254500 0.0280632708 -0.0006384847 -0.0001948949 0.0020039403 -0.0062061247 0.0161389673 -0.0105645461 0.0137013659 -0.0140395457 -0.0141798818 -0.0000413674 0.0002590543 -0.0005187778 0.0027171161 -0.0054905373 0.0035831036 -0.0025372699 0.0019980555 0.0024064216 -0.0002220893 -0.0010630449 -0.0004832305 0.0059836659 0.0039625939 0.0111849259 -0.0038117436 0.0086424600 -0.0050347003 0.0016221725 -0.0008635812 -0.0007780607 -0.0082376045 0.0206332846 -0.0103323265 0.0071599537 0.0041474211 0.0160468490 -0.0178209848 -0.0146126779 0.0032175041 0.0000687028 -0.0000224235 0.0002301686 -0.0000128356 -0.0003138701 0.0004023783 0.0002811572 0.0002952738 -0.0031831381 -0.0230693336 0.0272507968 -0.0101511520 -0.0341630242 -0.0624655954 -0.2003826098 0.5009636697 -0.1038369902 0.1443086758 -0.1951563867 -0.1526997933 0.1750345659 0.0149416103 0.0133435816 0.0123144925 -0.0973537599 -0.0807456521 0.1145941294 -0.0699259237 -0.0877811593 -0.2608401372 -0.0242342287 0.0305169153 0.0304369491 0.1848454274 0.1990095471 -0.1704439766 0.0993848096 -0.5564773096 -0.1790308222 -0.0026781190 0.0033526889 -0.0022257718 0.0000940282 -0.0002480525 0.0000696029 0.0286919213 -0.0346704714 0.0159326317 -0.0014269000 0.0014940954 -0.0008901712 0.0140719268 0.0059489384 0.0218721305 -0.0123066718 -0.0115319429 0.0044762135 0.0146922936 -0.0110716580 -0.0160518822 0.0053907601 0.0005949654 0.0039936237 -0.0465840680 -0.0200285633 -0.0674932559 -0.0168900419 0.0125485560 0.0199116937 -0.0022162765 0.0006104588 0.0006092713 0.0085158822 0.0038778183 0.0128920756 0.0175473347 -0.0114765558 -0.0194373202 -0.0002072647 -0.0003526790 0.0006116099 0.0057524111 0.0049165290 -0.0033618816 -0.0033077703 -0.0008277407 -0.0039714427 0.0000331946 -0.0000864439 0.0000413828 0.0006325508 -0.0012067774 0.0011695803 -0.0028484412 -0.0021519948 -0.0055649134 -0.0046825778 0.0157684747 -0.0093549223 0.0026144649 -0.0009431675 -0.0054705613 0.0119523441 -0.0333565771 0.0204743688 -0.0446534795 0.0457373395 0.0471518720 -0.0033491132 0.0053212181 -0.0000832987 0.0179805254 -0.0414881504 0.0266045937 0.0252478695 -0.0215219791 -0.0278157314 -0.0080966971 -0.0362941581 -0.0201427246 0.2153603323 0.1436935265 0.4120236804 -0.1274157812 0.2864664384 -0.1668800412 0.0357581430 -0.0146703534 -0.0138263345 -0.1651947973 0.4144805627 -0.2072825238 0.1332829676 0.0770122031 0.2957296659 -0.3864343038 -0.3163321028 0.0710784117 -0.0000235034 0.0000290461 -0.0000356204 -0.0000543455 0.0001013129 -0.0001130948 0.0001282265 -0.0000395888 0.0017062334 0.0013866155 -0.0017783731 0.0006004020 0.0021719097 0.0041391896 0.0132394677 -0.0310516387 0.0065802970 -0.0089415938 0.0124992529 0.0098019490 -0.0114004849 -0.0001295187 -0.0000236325 -0.0000012283 0.0009457328 0.0007306862 -0.0011293088 0.0004077813 0.0003071419 0.0012092676 0.0006284523 -0.0009193901 -0.0008266544 -0.0047365228 -0.0051780465 0.0042997609 -0.0027289440 0.0159674858 0.0051938341 0.0000889197 -0.0001694910 0.0000573060 0.0000047111 0.0000194702 0.0000008363 -0.0011660768 0.0016244962 -0.0005682815 0.0117873459 -0.0078804779 0.0073623415 -0.1041949093 -0.0439828752 -0.1624618377 0.0593695442 0.0585516419 -0.0221283207 -0.0898639107 0.0690193732 0.0992070268 -0.0549860700 -0.0067593595 -0.0420861300 0.4816995067 0.2078850712 0.6997746813 0.1648295147 -0.1240524649 -0.1977262357 0.0151239691 -0.0030370478 -0.0020029884 -0.0692126845 -0.0309689552 -0.1037918392 -0.1081543228 0.0705232779 0.1205326007 0.0045650202 0.0048377222 -0.0047358155 -0.0705053253 -0.0585987497 0.0404877689 0.0150101440 0.0023991703 0.0180834507 -0.0000880529 0.0002427639 -0.0001909717 -0.0000197567 0.0005021005 0.0000397941 -0.0014281147 -0.0008695505 -0.0029759539 0.0016608067 -0.0050438148 0.0029237500 0.0000493895 0.0000338221 -0.0002317112 0.0005116553 -0.0018452571 0.0011718626 -0.0013203562 0.0014244265 0.0015622859 -0.0002751219 0.0002809057 0.0000832750 0.0008897263 -0.0015647205 0.0011944037 0.0023759665 -0.0020724781 -0.0025712448 -0.0006019964 -0.0015260617 -0.0010525994 0.0111153636 0.0071719964 0.0207207818 -0.0049485295 0.0112113429 -0.0070041291 0.0050590705 -0.0024803922 -0.0021002783 -0.0248424780 0.0618484580 -0.0308943355 0.0200008511 0.0116015342 0.0448546828 -0.0540388656 -0.0439808101 0.0100356825 0.0000100537 0.0000254743 0.0002349793 0.0001470309 -0.0001102387 0.0001151707 -0.0001060265 -0.0000847781 -0.0017483243 -0.0022278350 0.0033289401 -0.0009752136 -0.0039912937 -0.0079280329 -0.0250545289 0.0536396126 -0.0116527346 0.0154670352 -0.0230154144 -0.0178767258 0.0215390823 -0.0013440436 -0.0015222330 -0.0013742681 0.0086995793 0.0073348500 -0.0101010653 0.0067610318 0.0091845078 0.0262666755 0.0006900351 -0.0003556149 -0.0007021048 -0.0054452522 -0.0055851803 0.0050439428 -0.0020541080 0.0097592364 0.0029975266 -0.0002225330 0.0002045724 0.0001417327 0.0000606394 -0.0000510460 -0.0000762681 0.0014771364 -0.0018415444 0.0001477361 0.0002739275 -0.0005891710 0.0002043700 -0.0035955386 -0.0015694532 -0.0056082265 0.0052741301 0.0049076743 -0.0019436433 -0.0048474000 0.0036527174 0.0052114660 -0.0006493016 0.0000225071 -0.0002387599 0.0042951999 0.0019281399 0.0062388207 0.0031237409 -0.0024011358 -0.0035600232 0.0015455748 -0.0009438714 -0.0014238890 -0.0009007660 -0.0012212850 -0.0022603315 -0.0173327575 0.0115671498 0.0190810206 0.0004746223 0.0005292534 -0.0007251374 -0.0098008218 -0.0077439870 0.0043785196 0.0033901678 0.0014164083 0.0038210130 -0.0001472979 -0.0000049407 -0.0003946138 0.0001713156 -0.0005667164 0.0008407714 -0.0010013167 -0.0006565176 -0.0043531210 -0.0019815463 0.0078370909 -0.0046875557 0.0021459535 -0.0006325024 -0.0060359359 0.0136660405 -0.0376413998 0.0250618454 -0.0404062666 0.0421853320 0.0430563156 0.0029409192 -0.0064238099 0.0016755546 -0.0235187492 0.0589339485 -0.0372132645 -0.0149292615 0.0160753027 0.0178927072 0.0041495810 0.0371472746 0.0169476798 -0.1895900350 -0.1287314163 -0.3671561960 0.1360985915 -0.3060340683 0.1736641084 0.0171974046 -0.0147078991 -0.0087352849 -0.1068004582 0.2608611468 -0.1306506927 0.0850546095 0.0490332198 0.1939229152 -0.1743341920 -0.1387195930 0.0336824599 -0.0000259833 0.0000041880 0.0001714432 0.0001517654 0.0000137368 0.0002477632 0.0003120551 -0.0001313676 -0.0011636710 0.0145209732 -0.0231993152 0.0058639864 0.0293588166 0.0571946540 0.1819476145 -0.3606400045 0.0785342768 -0.1040283754 0.1617945338 0.1294322036 -0.1476382648 0.0147821897 0.0159989099 0.0140556884 -0.0969663597 -0.0827136098 0.1134753380 -0.0722060765 -0.0963697442 -0.2778849731 -0.0118310729 0.0114097041 0.0136996275 0.0919519879 0.0975333888 -0.0846835082 0.0438119568 -0.2312776898 -0.0733869940 -0.0017835682 0.0015254232 -0.0011486336 0.0001384617 -0.0000960355 -0.0000882815 0.0157129988 -0.0175425325 0.0087120729 -0.0013265185 0.0013467621 -0.0007799045 0.0126488318 0.0054238695 0.0197434631 -0.0110877577 -0.0105734552 0.0041410538 0.0137120974 -0.0104045659 -0.0148824090 0.0040869844 0.0003417518 0.0027105110 -0.0335062918 -0.0146421217 -0.0487990658 -0.0140649603 0.0108909649 0.0167109171 -0.0035157363 0.0015926239 0.0020430640 0.0077325496 0.0044912892 0.0130039718 0.0336541047 -0.0225259878 -0.0370273797 -0.0009077207 -0.0011767782 0.0017778607 0.0208878898 0.0167071044 -0.0103286123 -0.0088013773 -0.0031816915 -0.0102845493 0.0000301419 0.0001931115 0.0002502203 0.0013459179 -0.0037151555 0.0027689820 -0.0018304004 -0.0018885118 -0.0053859421 -0.0137812023 0.0452365814 -0.0271707366 0.0030275089 -0.0006181247 -0.0084224262 0.0205328553 -0.0551631279 0.0362460514 -0.0580136564 0.0601309314 0.0612167593 0.0025059506 -0.0058804779 0.0022074231 -0.0237362286 0.0581914431 -0.0368040754 -0.0086874529 0.0109512992 0.0116601211 0.0035483446 0.0334936877 0.0149027954 -0.1691932997 -0.1148458673 -0.3271611409 0.1231297581 -0.2770344477 0.1571548198 0.0160366911 -0.0136427983 -0.0079372608 -0.0992978146 0.2426518982 -0.1215036752 0.0783155209 0.0451125232 0.1782210335 -0.1620626247 -0.1289357911 0.0313993304 0.0000266421 -0.0000591877 -0.0000984924 -0.0000314199 0.0001147293 -0.0003474505 0.0003010761 -0.0002334087 0.0042394185 -0.0153616581 0.0248414309 -0.0062163896 -0.0316004846 -0.0613032891 -0.1953260181 0.3844630089 -0.0837477070 0.1109155822 -0.1736607023 -0.1388902810 0.1583095498 -0.0160680821 -0.0173482288 -0.0153042828 0.1053599020 0.0897403455 -0.1232803024 0.0786119089 0.1047169192 0.3022704614 0.0128453571 -0.0122515465 -0.0148439568 -0.1000367252 -0.1059137566 0.0918308477 -0.0471974685 0.2497772453 0.0795080344 0.0017002223 -0.0018647508 0.0014099887 0.0000117425 0.0000722959 -0.0000299144 -0.0176545037 0.0204442870 -0.0096117208 0.0012328322 0.0000714651 0.0001333842 -0.0048197686 -0.0025595879 -0.0075773451 -0.0026034265 -0.0016070841 0.0004059232 -0.0053475587 0.0038077097 0.0060018717 -0.0015295338 -0.0003411448 -0.0019334038 0.0191533540 0.0102634789 0.0250918965 0.0000675048 -0.0004629681 -0.0013611357 0.0027856740 0.0027822379 0.0083087886 -0.0570500707 -0.0264769509 -0.0833268724 0.0219246802 -0.0116496652 -0.0215015553 -0.0735570410 -0.0417873751 -0.0329014777 0.4030029622 0.3178290478 -0.2284234550 0.4925749458 0.1690648596 0.6139262763 -0.0020490849 0.0015490136 0.0009931987 0.0050557859 -0.0013464062 0.0093546342 -0.0454925800 -0.0294954483 -0.0857935123 -0.0134509832 0.0452436613 -0.0265162467 -0.0008203243 0.0015222985 0.0000841907 0.0038579082 -0.0112954072 0.0076308410 0.0066369454 -0.0068766716 -0.0072145502 0.0002368284 -0.0002770974 -0.0002617182 -0.0005302135 0.0008927975 -0.0005668359 -0.0025376696 0.0019364793 0.0027889410 0.0000358007 -0.0002763992 0.0000212027 0.0008050506 0.0004561302 0.0014184560 -0.0012284126 0.0028697441 -0.0016756544 -0.0000151273 0.0000354441 -0.0000763510 0.0001342835 -0.0003107707 0.0001795283 0.0003079104 0.0002578137 0.0007556563 -0.0003983766 -0.0002999516 0.0000283609 -0.0000028405 -0.0002481173 -0.0003922460 0.0001476930 -0.0005778348 0.0022929108 -0.0030363137 0.0013359416 -0.0224179696 -0.0004900767 -0.0002776640 -0.0004313113 0.0020033317 0.0032708678 0.0055274929 0.0022538998 -0.0009595405 0.0003765281 0.0021784073 0.0020950569 -0.0008709875 -0.0000678223 0.0000404152 0.0005170122 0.0018484814 0.0012219197 -0.0021032250 -0.0012000152 -0.0019602827 -0.0048053753 -0.0007565627 -0.0006138870 0.0007357434 0.0083214793 0.0094948609 -0.0080238066 0.0002066278 -0.0017182396 -0.0000777947 0.0013999483 -0.0006563712 -0.0004033699 -0.0003838461 0.0000412345 0.0004406479 -0.0071253398 0.0070141056 -0.0011088409 0.0000786748 0.0000862026 0.0000322924 -0.0001992602 -0.0001501175 -0.0003449298 -0.0007923625 -0.0006561123 0.0002258521 0.0002613022 -0.0002265304 -0.0002433396 -0.0001560457 -0.0000330946 -0.0002092490 0.0020708896 0.0011438211 0.0027232434 -0.0000632918 0.0000500588 -0.0001342104 0.0002067222 0.0005127831 0.0013096075 -0.0078093533 -0.0036436924 -0.0112922935 0.0052665321 -0.0032408851 -0.0053170257 -0.0087213466 -0.0050276165 -0.0035724613 0.0487938840 0.0388141263 -0.0273236466 0.0561595874 0.0189275581 0.0694756016 -0.0001858022 0.0012535365 -0.0009831715 -0.0408714733 0.0062958309 -0.0781632816 0.3898016505 0.2589254397 0.7457772006 0.0998794985 -0.3375798044 0.1966464295 0.0083720562 -0.0133827534 -0.0035575531 -0.0293488013 0.0804785668 -0.0551517853 -0.0787481187 0.0812310581 0.0863983661 -0.0007047243 0.0006802226 0.0019757042 -0.0012997607 0.0051656150 -0.0019790146 0.0159948231 -0.0114138452 -0.0153520620 -0.0006238442 0.0012581075 -0.0009587129 0.0009044808 0.0010507882 0.0025753045 0.0066861205 -0.0158719531 0.0088070023 0.0013352184 -0.0005083827 0.0008535240 -0.0055394094 0.0137560346 -0.0068106950 -0.0021028066 -0.0015888665 -0.0054509746 -0.0075903357 -0.0059807237 0.0020169314 0.0000215721 -0.0000197399 0.0006809687 0.0014214630 -0.0008381656 0.0041295568 -0.0116580482 -0.0003644822 -0.0548150321 0.0003184643 -0.0000842372 -0.0003278966 0.0007191622 0.0014919385 0.0039328426 -0.0035911073 0.0007674686 -0.0011180263 -0.0012652116 -0.0011038148 0.0012771137 -0.0016237650 -0.0011262081 0.0042013917 0.0239731892 0.0210695480 -0.0274812338 -0.0054033551 -0.0077764942 -0.0214512785 0.0024203777 0.0021503166 -0.0024476858 -0.0304616250 -0.0340921788 0.0308005033 -0.0009849188 0.0084995278 0.0011960891 -0.0005229400 -0.0002714741 -0.0002783091 0.0001738948 0.0000094009 0.0000077880 0.0006703960 0.0000594297 0.0001699165 0.0000384856 -0.0000151136 -0.0000370198 -0.0000245391 0.0000167019 -0.0000019112 -0.0000531083 -0.0000273398 0.0000185912 -0.0003599586 0.0002370184 0.0003923101 0.0001068896 -0.0000868854 -0.0001214741 0.0000191595 -0.0000530092 -0.0000431780 -0.0012642421 0.0011124470 0.0015332411 0.0000649266 0.0001440065 0.0003718980 -0.0020116488 -0.0007529308 -0.0027455278 0.0012888311 -0.0008483290 -0.0014194244 0.0004188225 0.0002585987 0.0000045675 -0.0039597812 -0.0030233605 0.0018710527 -0.0019119911 -0.0006879029 -0.0027871127 0.0002966170 -0.0001639610 0.0008782174 0.0025921807 0.0004601356 0.0050091930 -0.0273337129 -0.0174911919 -0.0507459811 -0.0034660890 0.0127459023 -0.0071454823 -0.0007160375 0.0011585151 0.0001553617 0.0029073386 -0.0077843782 0.0054106789 0.0060729090 -0.0061330329 -0.0065522092 0.0005559842 -0.0005432466 -0.0004981359 -0.0006653867 0.0014906141 -0.0010359856 -0.0062674223 0.0050022432 0.0064541957 -0.0002167765 0.0000674106 -0.0003622825 0.0016817334 0.0011984812 0.0032068876 0.0009129058 -0.0021371360 0.0011638936 -0.0001003852 -0.0000194641 0.0000022516 0.0001904982 -0.0004690269 0.0002399549 -0.0000494778 -0.0000029069 -0.0000109989 0.0009462506 0.0007346677 -0.0001963965 0.0000757282 0.0000267552 -0.0003766813 0.0001457601 0.0003679597 -0.0005813482 0.0002978706 -0.0003890288 0.0048829205 0.0086555560 0.0019579241 -0.0067411664 0.0096394333 0.0138360628 0.0450387296 -0.0548941715 0.0109671853 -0.0178181300 -0.0592255196 -0.0491585209 0.0569477996 -0.0283452680 -0.0203716530 0.0696325306 0.4360191369 0.3696164493 -0.4862605720 -0.0965202219 -0.1269491732 -0.3526342119 0.0166707084 0.0421601842 -0.0125645295 -0.2519358282 -0.2547048744 0.2378780806 0.0479377471 -0.2541018058 -0.0857194111 -0.0017416875 0.0012766144 -0.0003696616 0.0005893424 0.0000344732 0.0000363359 0.0102181490 -0.0105447549 0.0032426812 -0.0001391864 -0.0000554391 0.0001953481 -0.0006466059 -0.0002577475 -0.0009519430 0.0015954251 0.0014263201 -0.0005647642 0.0006685460 -0.0005066322 -0.0007632965 0.0000059201 0.0000035613 0.0000144613 -0.0001161233 -0.0000852207 -0.0002726365 0.0001637473 -0.0000494534 0.0000348071 0.0001126551 -0.0000282705 -0.0000265284 -0.0004036986 -0.0002142970 -0.0006379169 -0.0009335175 0.0005948988 0.0009980953 0.0000435960 0.0000360013 0.0000012971 -0.0004527964 -0.0003402479 0.0002271139 -0.0001713075 0.0000007754 -0.0002279182 0.0000088367 0.0000474767 -0.0000324911 0.0011495578 -0.0003488401 0.0017675596 -0.0093388614 -0.0062204506 -0.0168133003 -0.0033287078 0.0084681856 -0.0051882692 0.0022955178 -0.0047845846 0.0022636519 -0.0148018156 0.0486219721 -0.0299638264 -0.0072336042 0.0085857257 0.0089416614 0.0058459982 -0.0020078218 -0.0118596971 0.0203805659 -0.0511955405 0.0293865583 -0.0948932715 0.0792010822 0.1020412517 -0.0437045072 0.0343733757 -0.0698908921 0.2638204357 0.1905330416 0.5083018208 0.2571510332 -0.6026019135 0.3278610446 0.0029379317 -0.0112902395 0.0180985446 -0.0468781424 0.1179360999 -0.0593712432 -0.0665950145 -0.0415098657 -0.1462613440 0.0762808009 0.0578136588 -0.0099543654 -0.0000039538 -0.0000321134 0.0000267386 0.0000088767 -0.0000204054 0.0004979568 -0.0002031553 0.0004464770 -0.0051852976 -0.0001253422 -0.0000755299 0.0000315233 0.0000516094 0.0001313532 0.0004125311 0.0004190991 -0.0000860414 0.0001313181 0.0010473361 0.0008440141 -0.0009582838 0.0002195217 0.0001679436 -0.0004277134 -0.0030847506 -0.0026067217 0.0034479030 0.0004642819 0.0006323479 0.0016899121 -0.0001114182 -0.0002257509 0.0000963350 0.0016458198 0.0016650681 -0.0015434395 -0.0001919936 0.0010136195 0.0003353907 0.0000600560 0.0000199635 -0.0000146983 -0.0000373639 0.0000043650 0.0000239560 0.0000194080 -0.0000642337 -0.0000557059 0.0001067264 -0.0000678005 -0.0002517563 0.0008158380 0.0003371108 0.0011794386 -0.0006130343 -0.0006060327 0.0002004799 -0.0014699698 0.0011080792 0.0015670620 0.0000830373 0.0000242630 0.0000885114 -0.0008009798 -0.0004089974 -0.0012852244 -0.0000457228 0.0000978529 0.0002181658 -0.0000310196 -0.0000280734 -0.0000883210 0.0005804108 0.0002787409 0.0008916413 -0.0002337257 0.0001671292 0.0002303206 -0.0001549413 -0.0000846507 -0.0001169995 0.0006205156 0.0004081759 -0.0004046313 0.0013633401 0.0003107502 0.0013696558 -0.0000728611 -0.0002195432 0.0002472567 0.0046326175 -0.0048814733 0.0091041690 -0.0330037763 -0.0216135215 -0.0619145805 -0.0215392581 0.0758298200 -0.0451270163 0.0210950020 -0.0469409495 0.0183564353 -0.1646052782 0.4729966256 -0.3161792662 -0.0948447062 0.0937377190 0.1021840607 -0.0426563376 0.0431953263 0.0305315037 0.0645951154 -0.1607298569 0.1015343458 0.4425473241 -0.3612968070 -0.4666684682 -0.0018656278 0.0076578324 -0.0018701621 -0.0109390705 -0.0072555689 -0.0202361082 0.0330785937 -0.0755349568 0.0425805162 0.0018023515 -0.0029365076 0.0029338098 -0.0133912628 0.0340889046 -0.0177043840 -0.0083031355 -0.0063421557 -0.0205914636 0.0070722586 0.0052571236 0.0000486356 0.0003200379 -0.0000696709 -0.0001408746 -0.0005845646 0.0001924320 -0.0030998878 0.0033054632 -0.0014557678 0.0353515548 0.0006671352 0.0002385818 -0.0003189713 0.0002820132 0.0002382257 0.0007621893 -0.0036702849 0.0007806159 -0.0012053642 -0.0045312288 -0.0035427732 0.0042707420 -0.0011809028 -0.0009165919 0.0024011060 0.0170960497 0.0141505237 -0.0188335506 -0.0028838022 -0.0036441879 -0.0102317058 -0.0013738477 -0.0026610036 0.0011438358 0.0189096473 0.0193839962 -0.0177955575 -0.0024819648 0.0125558038 0.0042802175 0.0002013520 -0.0001415897 0.0001132018 -0.0000033060 0.0000076214 -0.0000083719 -0.0017547439 0.0018198881 -0.0006945371 0.0002530899 0.0001455057 -0.0000176910 -0.0006108047 -0.0002906839 -0.0009418244 -0.0019566580 -0.0017764173 0.0007554037 -0.0003682325 0.0002896666 0.0004629788 -0.0001496016 0.0000870742 0.0001084332 0.0002477318 0.0000939651 0.0002248100 0.0017039867 -0.0009087027 -0.0016973133 -0.0004974864 -0.0004021332 -0.0011791018 0.0078787986 0.0033451353 0.0119030547 -0.0023182015 0.0014212496 0.0022825131 -0.0011074708 -0.0007051052 -0.0003112279 0.0066175888 0.0058449356 -0.0039073931 0.0057352481 0.0017525892 0.0064887121 0.0003498639 0.0000380486 0.0010490179 0.0010527584 0.0003920441 0.0019353564 -0.0115357026 -0.0063351870 -0.0183744188 -0.0002407765 0.0021681379 -0.0008555806 0.0009344953 -0.0022229405 0.0010123850 -0.0078078346 0.0232135759 -0.0154130025 -0.0039729001 0.0038433305 0.0041855264 -0.0018727506 0.0019185894 0.0013532526 0.0027440869 -0.0069824157 0.0043820553 0.0197380477 -0.0160716577 -0.0208188899 -0.0000319952 0.0002749565 -0.0000086033 -0.0006444724 -0.0004294780 -0.0012201887 0.0010899183 -0.0024570074 0.0014197059 0.0001038720 -0.0001422675 0.0001622964 -0.0007075634 0.0018007891 -0.0009131705 -0.0004511041 -0.0003375367 -0.0011596906 0.0002357830 0.0001694534 0.0000272885 0.0001545945 0.0000274592 -0.0003082160 0.0002602419 0.0002389527 -0.0002980975 -0.0005952657 -0.0002583761 0.0009978112 -0.0118652659 -0.0046291094 0.0052287794 -0.0035578648 -0.0016159650 -0.0057875633 0.0628020342 -0.0130625803 0.0205388003 0.0810457158 0.0633508663 -0.0768399975 0.0193958558 0.0153232093 -0.0375337968 -0.2745237246 -0.2261562294 0.3021360798 0.0413397802 0.0529643435 0.1489243090 0.0326720576 0.0656596533 -0.0268340858 -0.4550594902 -0.4607735050 0.4228468463 0.0644555972 -0.3292513886 -0.1093052542 -0.0008899641 0.0006407200 -0.0020603964 -0.0004801218 0.0004140965 0.0007249582 0.0141873601 -0.0128265693 0.0064187243 0.0558461333 -0.0003224102 -0.0680175963 0.1576964375 0.0610052578 0.2183144544 -0.4016733624 -0.3718963300 0.1374103750 -0.4217932498 0.3156242512 0.4551637978 -0.0108613886 0.0120872620 0.0216099449 -0.0477933231 -0.0193926007 -0.0639331796 0.1834891288 -0.1274757382 -0.2014438961 -0.0048732611 -0.0026541239 -0.0084452225 0.0650784750 0.0275812428 0.0951436213 -0.0121131448 0.0052649290 0.0118421695 -0.0008003879 -0.0005044103 -0.0002929310 0.0033586012 0.0030628691 -0.0021571424 0.0053030186 0.0017070700 0.0062877562 0.0000299227 0.0000622081 -0.0002384291 -0.0000235320 -0.0000297919 -0.0000694850 0.0004055092 0.0002795330 0.0007845389 -0.0000928335 0.0001468490 -0.0000407309 0.0000126094 0.0000294500 -0.0000855124 0.0003264272 -0.0007776367 0.0004990713 -0.0004523276 0.0004894409 0.0004810529 0.0001994100 -0.0001950974 -0.0001546469 -0.0002549024 0.0006026053 -0.0003774574 -0.0020740965 0.0017319286 0.0022487107 -0.0000622923 0.0000453823 -0.0001006743 0.0003810477 0.0002831769 0.0007575875 0.0003673915 -0.0008259654 0.0004574907 -0.0000147326 -0.0002388355 0.0001723710 -0.0008406501 0.0020421683 -0.0009956094 -0.0003509961 -0.0002116119 -0.0007847232 0.0013179765 0.0010660018 -0.0002149860 0.0000193285 0.0001204385 0.0001629874 -0.0000157275 -0.0000180422 0.0001014731 -0.0000109551 0.0000170993 -0.0006038869 -0.0011660575 -0.0003413164 0.0001203275 0.0001381073 0.0005593626 0.0017836133 0.0078590040 -0.0017125279 0.0022765734 0.0057071866 0.0045629823 -0.0057830376 -0.0002454163 -0.0001918033 0.0003328786 0.0029429708 0.0024734462 -0.0033197030 -0.0001800736 -0.0002659109 -0.0007492451 -0.0001372259 -0.0003277263 0.0001141603 0.0020878505 0.0020293412 -0.0019497757 -0.0003424647 0.0019386812 0.0005998676 0.0000381922 -0.0000340259 -0.0000060846 -0.0000065101 0.0000118214 0.0000138769 -0.0002715017 0.0002767625 -0.0001117946 -0.0002213923 -0.0002086801 0.0000144508 0.0003557480 0.0001575815 0.0006455435 0.0024045942 0.0021965397 -0.0008753323 -0.0002359355 0.0001297578 0.0001654449 -0.0001378065 0.0002256843 0.0004262959 -0.0013447674 -0.0006577379 -0.0021041345 0.0030797969 -0.0021970285 -0.0030499371 -0.0000916562 -0.0002265209 -0.0005746269 0.0032589627 0.0013452725 0.0047013594 -0.0021783987 0.0014309412 0.0023061612 -0.0001702575 -0.0000840796 -0.0001587115 0.0003529412 0.0003105904 -0.0002723377 0.0020427069 0.0007269779 0.0023282216 0.0000666895 0.0000145582 -0.0003553692 -0.0047168720 0.0055725133 -0.0084235578 0.0305727767 0.0195328985 0.0555985432 0.0216326664 -0.0823712719 0.0486354355 -0.0294319139 0.0603998551 -0.0165233379 0.1949633906 -0.5494471385 0.3705412330 0.1609321468 -0.1700838477 -0.1771736811 -0.0347155372 0.0401890599 0.0185890472 0.0898255576 -0.2046731105 0.1315431876 0.3279613911 -0.2706450957 -0.3500793015 -0.0039521255 0.0061011563 -0.0057805224 0.0140487353 0.0084461826 0.0267784926 0.0311014603 -0.0826531999 0.0441898469 -0.0067356536 -0.0149912262 0.0044284814 -0.0350288869 0.0853001237 -0.0434875808 0.0018030163 0.0005853455 0.0092617029 0.1156315183 0.0904961243 -0.0210783297 -0.0003746019 0.0000758223 0.0002011838 -0.0000908707 -0.0002854945 -0.0007661333 -0.0009155826 -0.0007437009 0.0069231575 -0.0006165545 -0.0002672039 0.0000279304 0.0003063164 0.0006802612 0.0022421813 0.0033046316 -0.0007528730 0.0009925159 0.0038217115 0.0031100380 -0.0035271361 0.0000486370 0.0000480272 0.0001162974 -0.0002172033 -0.0001288186 0.0002534019 -0.0004310712 -0.0005197322 -0.0015610727 -0.0000672203 0.0003188668 0.0000995545 -0.0002011406 -0.0000321648 0.0003694985 0.0005430010 -0.0040634643 -0.0014976325 -0.0000047390 0.0003493497 -0.0002237757 -0.0000684156 0.0000043909 0.0000830548 0.0021564822 -0.0035707395 0.0011189708 0.0029010618 -0.0066766716 -0.0193481695 0.0811524806 0.0344030280 0.1203099540 -0.0219512684 -0.0216085860 0.0043236806 -0.0962654829 0.0699184263 0.1016886908 0.0101881230 -0.0069611497 -0.0095417421 -0.0058345504 -0.0048875930 -0.0063334832 -0.1158757332 0.0851424078 0.1275791145 0.0282425845 0.0250354961 0.0718926361 -0.4834070759 -0.2090885810 -0.7105097400 0.1512976113 -0.0980400832 -0.1568144537 0.0070516035 0.0034250037 0.0055642833 -0.0209294138 -0.0187789734 0.0120837941 -0.0619792187 -0.0185882765 -0.0746160686 0.0000330029 -0.0004881866 0.0009795115 0.0000351003 0.0001112911 0.0001401321 -0.0009631907 -0.0006691743 -0.0019518624 0.0003395668 -0.0008870646 0.0004267435 -0.0001820524 0.0003239037 -0.0000286280 0.0010246434 -0.0025650329 0.0017583380 0.0012597687 -0.0013186283 -0.0013951675 -0.0002015299 0.0002365739 0.0001239050 0.0005285297 -0.0010750003 0.0006088218 0.0018969665 -0.0015444786 -0.0021254716 0.0001156314 -0.0001700330 0.0001720074 -0.0004829596 -0.0003285529 -0.0009229713 -0.0009865024 0.0021153118 -0.0011059609 -0.0007196546 -0.0018570135 0.0006300997 -0.0050198975 0.0117475355 -0.0059177736 0.0002194047 -0.0001082969 0.0008253922 0.0133380988 0.0104687662 -0.0024323545 -0.0002243911 0.0003044220 -0.0004675931 -0.0000872543 0.0001552827 -0.0010622592 0.0012419505 -0.0003206383 0.0106111511 0.0206773114 0.0067173632 -0.0015108849 -0.0042960299 -0.0150651790 -0.0469963716 -0.1336614474 0.0289038052 -0.0392661823 -0.1080631927 -0.0887861015 0.1056704613 0.0024845840 0.0018523239 -0.0033509844 -0.0288944103 -0.0247728308 0.0326030028 0.0019406533 0.0029879335 0.0080528963 0.0009845500 0.0019456942 -0.0008922042 -0.0150458455 -0.0144873257 0.0131954560 0.0017010811 -0.0091199732 -0.0028319873 -0.0000237974 0.0000774266 -0.0000726069 -0.0000526328 -0.0000167234 0.0000180461 0.0007825457 -0.0007297800 0.0003469693 0.0015066103 0.0014090314 0.0016544445 -0.0124973008 -0.0050796697 -0.0192716612 -0.0098027404 -0.0088528947 0.0038492794 0.0043488686 -0.0028180966 -0.0042670745 0.0002243349 -0.0002013292 -0.0003889513 0.0008246509 0.0004644113 0.0011669960 -0.0033388448 0.0021271205 0.0034795777 -0.0005392032 -0.0005316311 -0.0014639098 0.0095971917 0.0041140362 0.0141067668 -0.0033583846 0.0022230467 0.0035029340 -0.0000987062 -0.0000379413 -0.0000980040 0.0001597773 0.0001861844 -0.0000942065 0.0009107422 0.0002786130 0.0011386078 0.0000141170 -0.0000625143 0.0000997604 0.0006489151 -0.0008339364 0.0011806523 -0.0042127458 -0.0026784827 -0.0074771411 -0.0030371564 0.0125658201 -0.0073750517 0.0044005614 -0.0086434332 0.0021536031 -0.0283809640 0.0773549896 -0.0527398570 -0.0238444530 0.0261629966 0.0274298778 0.0066680677 -0.0076915984 -0.0025080777 -0.0185078495 0.0497390211 -0.0318793355 -0.0575471680 0.0467576432 0.0597302747 0.0076853138 -0.0131810901 0.0110258347 -0.0221127367 -0.0151741782 -0.0431191121 -0.0703503117 0.1616431731 -0.0876793420 -0.0274671488 -0.0806856177 0.0300150206 -0.2306429246 0.5405484531 -0.2702031653 0.0006492418 -0.0100765935 0.0142570560 0.5535229159 0.4346257279 -0.0998114470 0.0000493336 0.0000098139 -0.0000676430 -0.0000248913 0.0000565407 0.0001909563 0.0000533878 0.0001871028 -0.0020852849 -0.0003664597 -0.0001523304 0.0000633213 0.0001046643 0.0002601441 0.0008806744 0.0019312567 -0.0004083176 0.0005680503 0.0023073156 0.0018655980 -0.0022331571 -0.0000498757 -0.0000370759 0.0000921373 0.0006612149 0.0005819508 -0.0007430400 -0.0001084879 -0.0001251383 -0.0003818175 -0.0000259529 -0.0001301890 0.0000082666 0.0005366357 0.0004676248 -0.0004781358 -0.0001796092 0.0011213218 0.0003609757 0.0000644515 -0.0000712172 0.0000259951 -0.0000148124 0.0000092141 0.0000036790 -0.0006013990 0.0008455368 -0.0003117267 -0.0637527710 -0.0485154306 -0.0423776982 0.3980273344 0.1601312426 0.6197864016 0.4236233194 0.3867355784 -0.1614206909 -0.0582300507 0.0292583657 0.0483829293 -0.0142768877 0.0072409363 0.0099712825 0.0195452174 0.0073741033 0.0298986908 0.1409751553 -0.0984808715 -0.1543462472 -0.0023212916 -0.0009035078 -0.0036598147 0.0325451160 0.0158522313 0.0456190003 -0.0005420738 0.0007677389 -0.0000620974 -0.0009467720 -0.0004148605 -0.0005771265 0.0036358909 0.0025985862 -0.0018124512 0.0076089652 0.0016237780 0.0095383530 -0.0000334377 0.0000599941 -0.0000301682 0.0000201416 -0.0000132539 0.0000557763 -0.0002269311 -0.0001302536 -0.0004538168 -0.0000229317 0.0003153373 -0.0002063344 0.0002143693 -0.0004488383 0.0001468973 -0.0016313757 0.0042795564 -0.0029055045 -0.0009285190 0.0010942022 0.0011318386 0.0003530304 -0.0004098609 -0.0001623419 -0.0009453896 0.0024380986 -0.0015072530 -0.0032074587 0.0025261381 0.0033598129 0.0002362785 -0.0004862624 0.0003251317 -0.0003106047 -0.0002436699 -0.0006749719 -0.0024440002 0.0056849770 -0.0031647412 -0.0006239832 -0.0020532244 0.0008498820 -0.0061241237 0.0143588100 -0.0071348261 -0.0003535868 -0.0004784674 -0.0004523090 0.0137938842 0.0108014002 -0.0024675686 0.0000497580 0.0000949206 0.0000667091 0.0000360970 -0.0000478568 0.0001229228 -0.0001155824 0.0000623924 -0.0013190633 -0.0043449721 -0.0014342546 0.0001908207 0.0010383893 0.0036932581 0.0114620470 0.0281942301 -0.0060613649 0.0082764203 0.0227881484 0.0191497709 -0.0220655017 -0.0004072454 -0.0002864351 0.0005485691 0.0046126764 0.0039086408 -0.0052100487 -0.0003056101 -0.0005166111 -0.0014085381 -0.0000965823 -0.0001280029 0.0001050006 0.0014943061 0.0013538771 -0.0012752910 0.0000054713 0.0001637283 0.0000108156 -0.0000379158 0.0000289184 0.0000113613 0.0000166279 -0.0000114456 -0.0000107650 0.0002187932 -0.0002968096 0.0000746348 -0.0032942350 -0.0004952419 0.0028974970 -0.0032483508 -0.0016570578 -0.0036349241 0.0233300323 0.0218386737 -0.0080503447 0.0203222010 -0.0154304428 -0.0218158868 -0.0047250762 0.0037674132 0.0060124717 -0.0043647550 -0.0010915632 -0.0069573041 0.0603294268 -0.0433518040 -0.0663537837 -0.0069741464 -0.0057904051 -0.0170240342 0.1163737277 0.0503411763 0.1715201221 -0.0334092034 0.0220897615 0.0349529519 -0.0022713531 -0.0011589593 -0.0014809070 0.0095452526 0.0077253514 -0.0053729755 0.0179689634 0.0054664370 0.0217537261 -0.0001645285 0.0003189634 -0.0004361241 -0.0000463007 0.0001134906 -0.0001236399 0.0002806604 0.0003897524 0.0008678777 0.0004841552 -0.0015084088 0.0009641844 -0.0001635303 0.0003016117 -0.0000220598 0.0006893371 -0.0023008376 0.0016042576 0.0012824153 -0.0013057566 -0.0013155325 -0.0001379993 0.0001833154 0.0000367430 0.0005473416 -0.0011774099 0.0007807846 0.0011476856 -0.0009995469 -0.0012805546 -0.0000263073 -0.0000134215 -0.0000445215 0.0003359392 0.0002095212 0.0005631040 0.0000056608 -0.0001051189 0.0000287372 0.0001030443 -0.0001066018 0.0002899564 -0.0006475178 0.0016049058 -0.0007684601 -0.0011493965 -0.0007114109 -0.0025983652 0.0005745382 0.0004125276 -0.0000621707 0.0003405664 -0.0000264955 0.0002257768 0.0000710199 -0.0001766621 0.0006112790 -0.0006187589 0.0002705923 -0.0065224047 0.0821713056 0.0290042228 -0.0047695635 -0.0219358899 -0.0727229455 -0.2360852127 -0.5064920937 0.1094975742 -0.1491411682 -0.4578255358 -0.3832303898 0.4394087594 0.0080957061 0.0061685827 -0.0093390748 -0.0894166998 -0.0775952485 0.1012694843 0.0021856875 0.0031808183 0.0105550508 0.0019501808 0.0048191818 -0.0017708970 -0.0345901101 -0.0310005063 0.0291785751 0.0050499675 -0.0268433827 -0.0076586943 -0.0000520186 0.0001518028 -0.0004540754 -0.0001364327 -0.0000371923 0.0002471028 0.0025210302 -0.0025765304 0.0016818627 0.0033450526 -0.0104130826 -0.0285508697 0.1230686160 0.0458018724 0.1854054993 -0.0221574892 -0.0234536460 0.0070016224 -0.1463871165 0.1092499533 0.1507029549 0.0305437004 -0.0358387747 -0.0660787622 0.1577173279 0.0666571795 0.2230969835 -0.5156204285 0.3630430028 0.5656890060 -0.0041069287 -0.0091412038 -0.0230577018 0.1288831860 0.0574191622 0.1865716521 -0.0814904603 0.0492688257 0.0857590835 -0.0012308719 -0.0003503060 -0.0013149926 0.0020358470 0.0023503551 -0.0008799744 0.0145631587 0.0031708577 0.0172867846 -0.0000521369 0.0003157300 -0.0005998209 -0.0000225204 0.0000278380 -0.0001062596 0.0003043103 0.0002981471 0.0008178060 0.0000659125 -0.0004780078 0.0003806788 -0.0004335886 0.0007427019 0.0000555052 0.0015425283 -0.0048872441 0.0032788057 0.0039587828 -0.0039279198 -0.0040835399 -0.0001144359 0.0000906951 0.0001079832 0.0002195498 -0.0000752877 0.0000961090 0.0010471603 -0.0009023807 -0.0013081929 0.0008673162 -0.0003455759 0.0014064579 -0.0058690626 -0.0043974414 -0.0119804335 -0.0039622183 0.0084596613 -0.0046422930 0.0063987723 0.0013628619 0.0080671198 -0.0113049373 0.0297582467 -0.0137461363 -0.0377635166 -0.0234165741 -0.0885580270 -0.0279301460 -0.0228806431 0.0062594922 0.0000525750 -0.0007046597 0.0001525357 0.0000992855 -0.0001108128 0.0010115352 -0.0012388273 0.0002807545 -0.0108126889 0.0033094232 0.0012505313 0.0000650688 -0.0013692200 -0.0040968748 -0.0134943584 -0.0198026782 0.0042823623 -0.0057961239 -0.0190043685 -0.0162986532 0.0178841452 0.0003074295 0.0002437544 -0.0003301252 -0.0034375917 -0.0030048481 0.0038768794 0.0000013646 -0.0000191546 0.0001410259 -0.0000169573 0.0000726886 0.0000220055 -0.0002151606 0.0000824632 0.0001577571 0.0001203298 -0.0008968400 -0.0001440388 0.0000274750 -0.0000094413 -0.0000685622 -0.0000180658 0.0000182156 0.0000466619 0.0000516042 -0.0001186590 0.0001448566 -0.0003488644 0.0012541230 0.0033375215 -0.0145152839 -0.0053973817 -0.0218583279 0.0021745098 0.0023551668 -0.0006351186 0.0171292258 -0.0127670352 -0.0176203751 -0.0034181952 0.0040725039 0.0075342879 -0.0182821103 -0.0077448275 -0.0258766843 0.0583252878 -0.0410276256 -0.0639797577 0.0004903054 0.0010956113 0.0027659012 -0.0154997614 -0.0068750624 -0.0224126244 0.0098164611 -0.0059723240 -0.0103324054 0.0001837325 0.0000550887 0.0001801165 -0.0003253693 -0.0003470374 0.0001565014 -0.0020349982 -0.0005141886 -0.0024344864 0.0000058298 -0.0000619012 0.0000808952 -0.0000252485 0.0001387455 -0.0000015404 -0.0008419931 -0.0005329271 -0.0012746413 0.0004762300 -0.0010479515 0.0006512594 -0.0028862089 0.0044380379 0.0012216160 0.0068360030 -0.0222706880 0.0152036236 0.0306734459 -0.0296235821 -0.0314200443 -0.0001072648 -0.0004293821 0.0007901361 -0.0020157551 0.0084603891 -0.0049989273 0.0024078584 -0.0022808292 -0.0034077253 0.0082362564 -0.0036025414 0.0133396779 -0.0553657423 -0.0407775867 -0.1118442473 -0.0378424092 0.0831216739 -0.0452361523 0.0555917758 0.0102205681 0.0712143367 -0.1045507780 0.2739133700 -0.1267644766 -0.3300441927 -0.2047951017 -0.7742577339 -0.2344838270 -0.1921566159 0.0532266496 -0.0000013188 0.0000828800 -0.0000293159 -0.0000248192 0.0000640113 -0.0006932368 0.0008845257 -0.0003923991 0.0077360006 -0.0006018965 -0.0002085734 0.0000076946 0.0001732777 0.0006206730 0.0020266793 0.0038094988 -0.0008234073 0.0011078066 0.0033062673 0.0028475591 -0.0031592144 -0.0000876326 -0.0000675427 0.0000974548 0.0010111287 0.0008513217 -0.0011337775 -0.0000113686 -0.0000292758 -0.0000843216 -0.0000172961 -0.0000244972 0.0000167879 0.0003073034 0.0002954294 -0.0002622588 -0.0000135965 0.0000265139 0.0000127404 -0.0000399334 -0.0000034959 0.0000288874 0.0000262282 -0.0000078588 -0.0000262677 0.0000005044 -0.0000175699 0.0000174797 -0.0000319072 -0.0001033117 -0.0001802070 0.0010434570 0.0002855709 0.0015590577 0.0002810846 0.0002367485 -0.0001197301 -0.0009736943 0.0007363857 0.0009442586 0.0001671703 -0.0003286953 -0.0006546083 0.0023581505 0.0012609767 0.0032856358 -0.0042858877 0.0026430957 0.0044445974 -0.0002996191 -0.0002673294 -0.0006697147 0.0057561140 0.0017457976 0.0081351078 -0.0025409692 0.0021646191 0.0022590454 -0.0020789368 -0.0005812774 -0.0021440891 0.0013930261 0.0025801913 -0.0020338713 0.0215332972 0.0071377676 0.0268808122 0.0011967679 -0.0037253677 -0.0005651827 -0.0041575818 0.0033474809 -0.0035677701 0.0148642582 0.0108677230 0.0302038323 0.0177003377 -0.0442023211 0.0233125933 -0.0003929540 0.0002637832 -0.0001467770 0.0010267611 -0.0034929612 0.0027358310 0.0020904398 -0.0004652412 -0.0008896709 0.0016939972 -0.0016269207 -0.0016475702 -0.0006102295 0.0025442121 -0.0018240028 -0.0191702084 0.0166755614 0.0202358935 -0.0001555053 0.0000318868 -0.0001652943 0.0016671192 0.0011575255 0.0025733525 0.0003111729 -0.0010222571 0.0004523606 -0.0003543648 -0.0001312432 -0.0004317472 0.0003852488 -0.0010897321 0.0004679916 0.0020450993 0.0013220593 0.0051660651 0.0013299143 0.0012133779 -0.0001837741 0.0000381279 0.0000518578 0.0007709426 -0.0088523548 0.0062844591 -0.0848735852 0.1053413736 -0.0432757824 0.9863251540 0.0003249611 0.0001069812 0.0006160960 -0.0008513926 -0.0020728456 -0.0064651757 -0.0033777186 0.0007273345 -0.0009149517 0.0002483247 0.0000762122 -0.0000389838 0.0001393654 0.0000825340 -0.0000680604 -0.0017677875 -0.0011939560 0.0016321686 0.0000404484 -0.0000916112 -0.0000545879 0.0000969991 -0.0000757188 0.0000996059 0.0014627976 0.0006810658 0.0008262270 -0.0002751327 0.0000654742 -0.0003216804 0.0004483829 0.0006562531 -0.0008006146 -0.0003385599 0.0001790327 0.0006144477 0.0036677615 -0.0077150690 0.0029436599 0.0000431456 0.0000302250 -0.0000402623 0.0000881247 0.0000076769 0.0001065356 -0.0005295336 -0.0005079701 0.0001918936 -0.0001362784 0.0001163911 0.0001357484 0.0000413749 -0.0000490930 -0.0001470313 0.0001721881 -0.0000281052 0.0003970923 -0.0009019907 0.0006150116 0.0009978657 -0.0004068808 -0.0001931363 -0.0005147051 0.0047864724 0.0025229826 0.0065880511 0.0000071464 0.0001898065 0.0001350615 0.0001470666 0.0001185226 -0.0001134857 -0.0048015722 -0.0023286857 0.0011048987 -0.0002325494 -0.0000992437 -0.0007123496 0.0001198090 0.0000028981 -0.0000313327 -0.0000397854 0.0000012138 -0.0000546311 0.0002520777 0.0001935392 0.0006014206 0.0000801803 -0.0001928718 0.0001276772 0.0000140448 -0.0000143402 -0.0000261711 0.0000861691 -0.0001116531 0.0000430485 -0.0003033062 0.0002900951 0.0002887886 0.0000236897 -0.0000279619 -0.0000096115 -0.0000689662 0.0001883779 -0.0001129977 -0.0001735148 0.0001937612 0.0002262486 0.0000130114 -0.0000100890 0.0000189632 -0.0000674457 -0.0000321491 -0.0001414045 -0.0000806025 0.0001943289 -0.0001184911 0.0000034537 -0.0000186886 0.0000055450 -0.0000823990 0.0002140421 -0.0001079727 0.0000294044 0.0000177921 0.0000161814 0.0000038493 0.0000202541 -0.0000186492 0.0000575733 0.0000073447 0.0000430192 -0.0000785344 0.0000305523 -0.0005684522 0.0007304747 -0.0002117589 0.0066192549 -0.0012527229 -0.0046171728 -0.0918189628 0.1246986518 0.2819548391 0.8463090320 0.1397861996 -0.0292234239 0.0363481654 -0.2454099105 -0.2013359691 0.2205885203 0.0014460140 0.0008065447 -0.0091807574 -0.0343077226 -0.0316083302 0.0400554523 0.0163921915 0.0254264642 0.0641551800 0.0004650159 0.0000783923 -0.0002619982 -0.0051742498 -0.0043008004 0.0038911590 -0.0004083537 0.0007753055 0.0007207715 0.0005181638 -0.0003825306 -0.0001134996 -0.0003823828 0.0003356031 -0.0002459182 -0.0018636962 0.0021579474 -0.0005225791</array>
                     <array dataType="xsd:integer" dictRef="x:serial" size="132">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="132">-187.14674457 22.12687525 42.02632872 43.76730621 58.99134943 72.04600811 82.90364171 92.84979322 97.43088391 123.49340399 135.91549995 149.85645706 170.73006916 184.22729335 193.85312083 233.77459768 237.11133696 258.63438049 268.65021424 280.59005882 286.31986637 299.65649286 303.78705905 313.17851473 366.12259671 383.91950136 428.01818860 482.03314590 508.77132489 552.01870669 619.65421999 642.09935427 655.11722377 747.02951306 758.00094875 770.09511617 785.22347311 824.59986328 835.09253606 852.63591951 860.40814038 886.38406296 905.07044576 913.41369191 934.30700958 944.96999826 960.81358275 978.92113276 1007.95495580 1030.50266245 1043.07947029 1052.83683925 1082.76285263 1086.72668285 1089.34652337 1110.03279252 1122.53705912 1131.77904368 1134.29158379 1142.52890895 1152.10812435 1159.31455482 1213.61977559 1236.75055991 1250.17319933 1267.70490875 1282.80664129 1282.96529045 1306.47806781 1309.74204061 1332.55462201 1333.28677403 1336.79600432 1350.88750407 1368.83502509 1376.93745407 1386.81050913 1391.17739002 1392.89606207 1394.83495041 1409.29951642 1416.69194629 1421.32043298 1425.72254980 1426.45335050 1463.31207129 1466.30379991 1472.60209216 1473.80597078 1474.20074920 1479.37548148 1486.02317916 1487.80686465 1488.95105778 1493.39133051 1495.32276215 1499.68919382 1500.14173691 1502.80340250 1513.44543811 1518.65652891 1655.40464150 1691.10228180 2838.51387733 2990.46523603 2995.85464722 3000.45889072 3001.53266162 3008.58571156 3008.63952754 3011.32117008 3015.27967133 3017.16946894 3018.71110814 3022.37014032 3022.88201629 3050.70412769 3054.78311956 3067.06340198 3068.69004197 3078.45058697 3080.83506762 3088.93170735 3092.49295018 3099.55549661 3101.12480260 3103.99139303 3109.42994253 3124.25430668 3124.36652179 3152.72377751 3160.19478158</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="132">7.38451684 3.57534319 2.30646857 3.92086981 3.04258944 2.29985953 3.06115053 3.03947614 2.35249664 3.27694932 2.06071920 2.51434971 4.16127333 2.94593326 3.02013519 1.75979358 1.60816419 1.17599763 2.16576049 2.20161372 2.16493989 1.48663051 2.97687946 2.67515941 3.24155903 2.13509849 2.62447953 3.16758034 2.41759550 2.96317765 2.44910699 2.40650505 2.44500898 1.29547776 1.21352957 1.61102504 1.42893751 1.39989872 1.44342712 1.44827444 2.19006268 1.85777189 1.61588717 1.48373541 1.89223759 2.03676599 1.54346726 2.16452210 1.63665490 1.70806806 1.31957592 2.03621785 2.19438145 1.55377588 1.41670782 2.07767829 1.77103366 2.23248354 1.87371382 1.64522808 1.81040146 1.98783141 1.57251874 1.45940299 1.36889521 1.31413955 1.32027192 1.25288942 1.24126384 1.23404854 1.17150704 1.16273023 1.20238396 1.25029653 1.26291021 1.33497711 1.44445219 1.46261878 1.22874180 1.44556214 1.29386506 1.43127296 1.53272547 1.46852268 1.63136317 1.09517071 1.09926519 1.08677225 1.09540568 1.09875357 1.08088337 1.07520836 1.08756149 1.05162427 1.05766922 1.06164582 1.08905795 1.11811968 1.06180573 2.34341605 1.15034533 5.97612643 9.28637802 1.08601003 1.06496261 1.06569721 1.06988992 1.06551116 1.04477551 1.06409638 1.06769601 1.05677193 1.04759568 1.06794317 1.05504465 1.05502821 1.10091283 1.09872903 1.10067433 1.10298885 1.09407664 1.09951211 1.10215586 1.10077649 1.09427808 1.10391053 1.10256267 1.09918699 1.09884576 1.10305547 1.08917728 1.10172787</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="18216">-0.0160375541 -0.0024917967 0.0096517541 -0.0067936285 -0.0070808744 0.0051315101 -0.0183123760 0.0021859832 0.0165744467 -0.0249671016 -0.0081704330 0.0042992728 -0.0100184605 0.0030698687 0.0147174093 -0.0194040894 0.0093219063 0.0192594611 0.0069310094 0.0216336460 0.0185941808 -0.0006767165 -0.0118990957 0.0117367888 -0.0183864319 -0.0049157256 0.0210849598 0.0081387193 -0.0315669275 0.0291212400 0.0202434935 -0.0146632110 -0.0184885006 0.0795335227 -0.0890890430 0.0031661934 0.0703717619 -0.0433192004 -0.0501232682 -0.0629852343 -0.0130577675 -0.0352245759 -0.1082976027 -0.0754294998 -0.0262381656 -0.0131373300 -0.1013782096 -0.0608920958 -0.0847168022 -0.0658659977 -0.0271755550 -0.1243786248 0.0060792926 0.0499648210 -0.1139981379 0.0115103782 0.0549996214 -0.1119497404 0.0308744326 0.0402077456 -0.0975511708 -0.0022342413 0.0389193881 -0.1049893642 -0.0053957844 0.0358257849 -0.0617252366 0.0170690754 0.0609113099 -0.0792898167 -0.0198352579 0.0169912758 -0.0779963276 -0.0161219917 0.0142507779 -0.0698688051 -0.0193240906 0.0104082280 -0.0745613346 -0.0260308981 0.0233200268 -0.0682554008 -0.0193486839 0.0306745923 -0.0667696842 -0.0337547216 0.0220145791 -0.0800711907 -0.0196781624 0.0238743113 0.0759886399 0.0403635737 0.0173546844 -0.3357068224 -0.2534200528 -0.0675036818 -0.1070810413 -0.0691422656 -0.0824369737 0.0202787237 -0.0293160386 0.0140386657 0.1242956619 0.0270547159 -0.0195825985 -0.0235558887 -0.0878169802 0.1164291453 -0.0902189122 -0.0344904754 -0.1128347421 0.0710081222 -0.0251531239 0.0934352900 0.1862197388 0.0231998495 0.2302390267 -0.0489165668 -0.1153626094 0.1539626525 0.1153861540 0.0310420570 -0.0544142172 -0.0009070650 -0.0656177094 -0.2724095234 0.0376827159 -0.0147049403 0.0396122153 0.3629753270 0.2455262979 -0.0580250543 0.2063436794 0.1506751509 -0.0420241358 0.0235887792 -0.0863655762 -0.0870389312 0.2107460696 -0.0190092300 0.0127877146 0.2349662498 0.0119721603 -0.0109857421 0.2552744153 -0.0538336804 0.0461136581 0.2062612553 0.0090194206 -0.0110939855 0.1295807275 -0.0487566989 0.0304092556 0.1076218656 -0.0806231350 0.0552120363 0.1368612680 -0.0748595474 0.0539698741 0.0687144066 -0.0042614943 -0.0140009194 0.0913257148 0.0240213073 -0.0377267095 0.0608497946 0.0219984158 -0.0375963781 -0.0037633261 -0.0300982595 0.0018908003 -0.0421951550 -0.0048759537 -0.0300468414 -0.0259677850 -0.0607426658 0.0281436270 -0.0002727312 -0.0514524392 0.0237263470 -0.0121458846 -0.0745388651 0.0821223675 -0.0038590862 -0.1452038559 0.1020149196 0.0161069350 -0.0349323778 0.1340751987 -0.0371629246 -0.0571145456 0.0333040913 -0.0674784686 -0.1085726931 -0.0262461773 -0.0132365658 -0.0802203501 0.0777858960 -0.0542457051 0.0580307746 0.0011985269 0.0292992312 0.1122260832 0.0312116231 -0.0857735716 0.0337127975 -0.0098502666 -0.1386285599 0.1431243344 -0.0597981099 -0.1330309843 0.2028459610 -0.0846994553 -0.2296988557 0.1005055807 -0.0661200580 -0.1200239803 0.2081124987 -0.0845771163 -0.0309978302 0.2465565568 -0.0810441426 -0.1358294879 0.1575097987 -0.0646043744 -0.1786857868 0.2719991451 -0.1284611750 0.0283387558 -0.0599969310 0.0215057214 -0.0312851911 -0.0571834401 0.0454225931 -0.0541864967 -0.0439232480 0.0485551956 0.0454126583 0.0208572117 -0.0537489244 0.0160452632 0.0234881991 -0.0504236141 0.0625824077 0.0473484240 -0.0930352909 0.0849995337 -0.0018740911 -0.0312004018 0.0066896069 0.0119371782 -0.0336792624 -0.0256753561 0.0362197125 -0.0444465228 0.0208303910 0.0109657858 -0.0371597006 -0.0103207220 -0.0301063828 0.0035092055 0.0241366527 -0.0606184253 0.0067450240 -0.0379725620 -0.0417686136 0.0229819806 -0.0386643513 -0.0221374643 0.0117090863 -0.0532221675 -0.0060006538 -0.0087272609 -0.0618531925 -0.0353326634 0.0318461754 -0.0467890208 -0.0223293007 -0.0645475759 -0.0530868412 -0.0563009489 -0.0516814341 -0.0653398629 -0.0130702885 -0.0916660999 -0.0483846229 -0.0190733615 -0.0682770098 -0.0134169443 0.0037652445 -0.0420583932 -0.0055106934 0.0364487176 -0.0572339311 -0.0161813621 -0.0015105299 -0.0407963182 0.0102985455 -0.0050015697 -0.0032043916 -0.0066767765 -0.0234370464 0.0139367446 0.0207419397 -0.0033654298 0.0055850751 0.0356154097 0.0081213537 0.0011449960 0.0488596423 0.0082681271 0.0254486927 0.0521219936 0.0252347606 -0.0167594960 0.0222986846 0.0017998578 -0.0034135337 -0.0017039769 -0.0059331724 -0.0282564266 -0.0021605988 0.0541903718 -0.0485648931 -0.0378896088 -0.0392842228 -0.0659541747 0.0253903064 -0.0241296977 0.0240788535 0.0507597288 0.0405375888 0.1059292037 -0.0059009849 0.0152175826 -0.0429170953 0.0601143733 -0.1710925178 0.0570735147 0.1248244714 -0.2406645496 -0.0989342988 0.0716441205 -0.3055019273 0.1722569511 0.0005605385 -0.0608239160 0.1429045174 0.0740999258 -0.2415390458 0.1715268318 -0.0740303108 0.0308726010 0.3690383044 -0.0633308161 0.1630722699 -0.0937952721 0.0027156883 0.0727370678 -0.3346064087 -0.1482252844 0.3705450336 -0.1129764229 -0.0965498086 0.2224354999 -0.0237095952 0.0209370473 0.0046341549 -0.0029218042 0.0137850115 -0.0053507277 -0.0113391341 0.0140813111 -0.0181856802 -0.0118520705 -0.0177747391 0.0229976486 0.0233804079 0.0061835816 0.0205972598 0.0207026461 -0.0243497545 0.0241374177 0.0471681049 -0.0325902362 0.0236732178 0.0079746262 -0.0196988087 0.0234156540 0.0138105243 -0.0123742280 0.0206224518 0.0183007605 -0.0304344399 0.0276742455 0.0152122903 -0.0165659647 0.0239442398 -0.0019338539 -0.0226831832 0.0324231724 0.0005500208 -0.0153854271 0.0282339014 -0.0139944133 -0.0063354262 0.0103068264 -0.0046646381 0.0075426573 0.0172921054 0.0035643297 -0.0112734494 0.0034825437 -0.0132037971 0.1809822475 0.0264628628 0.0021261322 0.1654767749 0.0858070466 -0.0030030465 0.2289587372 -0.0189925140 0.0180137506 0.2147154832 0.0554270776 0.0136198679 0.0988217708 -0.0253219981 -0.0267069186 0.1152453983 -0.0841917272 -0.0208805432 0.0700422573 -0.0485742970 -0.0376965558 0.0386163064 0.0265731254 -0.0486020759 0.0287723245 0.0712487406 -0.0551460232 0.0614477185 0.0503655824 -0.0420897918 -0.0204529652 -0.0103694285 -0.0705242202 -0.0426555742 0.0088631026 -0.0829941356 -0.0158908000 -0.0536277758 -0.0625531698 -0.0455864637 -0.0107710729 -0.0887961061 -0.0008872977 0.0470958776 -0.1381713804 0.0096992243 0.1189352571 -0.1684593451 -0.0134397527 0.0085168296 -0.1965387426 0.0097622744 0.0756318668 -0.0551612400 0.0237072064 0.1070397359 -0.0168696856 0.0404704960 0.1189425097 -0.0690852107 -0.0426214702 0.0155523424 0.0060159094 -0.0710232936 -0.0130817227 -0.0205887682 -0.0756107182 -0.0198677578 0.0014121659 -0.0244077704 0.0340133098 0.1150459963 -0.0901910228 0.0057646218 0.1596306199 0.0040147415 0.0486257729 0.1192719022 0.0411788351 0.0698523489 0.1671397584 0.0246917052 0.0647245092 0.1704605578 0.1069499462 0.0863890743 0.1349919390 0.0427280303 0.0850181442 0.2371386445 -0.0927752094 -0.0175970248 -0.0904484559 -0.0027358734 0.0052585895 -0.1034873661 0.0322453633 0.0054120761 -0.1079036822 -0.0967027700 -0.0397016753 0.1644372265 -0.0608994070 -0.0706513692 0.1692270545 -0.1105419049 -0.0408005616 0.2117603633 -0.1270834063 -0.0124225151 0.1556706897 -0.0855797642 -0.0341374135 0.1033785155 -0.0388818601 -0.0623756433 0.1241171034 -0.1408022610 -0.0065158761 0.1084240000 -0.0670979128 -0.0305883174 0.0067905952 -0.1053777467 -0.0208434107 -0.0228079018 -0.0844235329 -0.0258200167 -0.0182543727 0.0234068004 -0.0504736808 -0.0183423989 0.0712801074 -0.0826217055 0.0399924973 0.0690712461 -0.0324606464 -0.0783932940 0.1165612240 0.1119840012 0.1190657989 0.1395834121 0.2143470792 0.0776039478 0.1701330806 0.0884916196 0.2054532360 0.1167020520 0.0972894379 0.1292975256 0.0207413593 0.0352087036 0.0510604498 -0.0099024756 -0.0598706725 0.1005292753 0.0374127461 0.0573739975 0.0507522049 -0.0430752121 0.0512065232 -0.0712887006 0.0297818760 0.0801541438 -0.1305861981 -0.0958811881 0.0474491358 -0.1183572691 -0.1105624332 0.0295704838 -0.0512226820 -0.1492466392 0.0306429010 -0.1200400036 -0.1703840952 0.0003762642 0.0043750340 -0.0560363773 0.0367941184 -0.0148985373 -0.0182543225 0.0595229089 0.0317277595 -0.0160830809 0.0587872596 0.0319095914 -0.0243401208 0.0597092664 0.0357724577 -0.0129052060 0.0456729658 0.0287577686 -0.0067155560 0.0808287334 0.0771754117 -0.0539432279 0.0591035784 -0.0217866777 0.0464076277 -0.0433936402 0.0204858370 0.0387730065 -0.0869104313 -0.0443448672 0.0946116546 -0.0580134362 0.0782517353 0.0651247968 -0.0673010857 0.0193552402 0.1484368890 -0.1759884881 0.0161975100 0.0742904931 -0.0031049450 0.1294052890 -0.0314597685 -0.0359289829 -0.1180208899 -0.0600386023 -0.1095797698 -0.2446552138 -0.1096711136 0.0983065174 -0.1203957877 -0.0005692094 -0.0704719898 -0.0983815587 -0.0488255990 0.0082781118 -0.0211707687 -0.0254629739 0.0634185025 0.0194608927 -0.0171759236 0.0984754114 0.0196261261 -0.0185648925 -0.1464822758 -0.0780248131 -0.0811612575 -0.1055223361 -0.0821737374 -0.0139977766 -0.2004768641 -0.1354621835 -0.0113968682 -0.1367482704 -0.0623954599 0.0492123026 -0.1383578324 -0.0137396446 0.0531519270 -0.1399038418 -0.0112496824 0.0935931123 -0.1886627764 -0.0078928447 0.0583350638 -0.0606243721 0.0382713055 0.0376677105 -0.0540245761 0.0244495738 0.1169527184 -0.0649702399 0.0848228500 0.0204436753 0.0243142420 0.0451145930 -0.0194117661 0.0382470089 0.0033880758 0.0319719143 0.0540700437 0.1035036030 0.0844701021 -0.1068604658 -0.1797158800 0.3260384661 -0.2560581948 -0.2987095669 0.1098538828 -0.0915351280 -0.0723651247 -0.1264414455 -0.0640479713 -0.4083089808 0.0187771129 0.0009716821 0.1146761754 -0.1696718666 0.1399851792 0.2059327852 0.1846240830 -0.0553063735 0.3026621809 -0.0147599922 0.0010038784 0.0300759624 0.0626185248 -0.0043415099 -0.0205898301 -0.0769828574 -0.0037019765 -0.0256816928 -0.0433797491 -0.0006822465 0.0553955954 -0.0565523135 -0.0088572537 0.0182807681 -0.0704459303 -0.0119052320 0.0802046541 -0.0138237243 0.0233428566 0.0557962898 -0.0061568156 0.0418497070 0.0051322414 -0.0114369574 0.0556067324 0.0032243637 0.0069013681 0.0334929012 -0.0159503113 -0.0157007157 0.0559852448 0.0042239701 -0.0242848322 0.0704162591 0.0306068484 -0.0292420497 0.0711753451 -0.0226676949 0.0098640075 0.0237112723 -0.0021143234 -0.0079893096 0.0083056997 -0.0146765952 0.0342397868 0.0362302400 0.0117446193 0.0333873222 -0.0097150681 -0.0118044291 0.0626504270 -0.0393610308 -0.0161064335 0.0552427138 0.0105718061 0.0080456801 -0.0051351180 -0.0328977576 -0.0412255733 -0.0372398423 -0.0591082772 -0.0677546548 -0.0281740334 0.0068767041 -0.0419028826 0.0202727729 -0.0641963490 -0.0369745103 0.0028421928 0.0541986185 0.0635757187 -0.0125635373 0.0116772469 0.0280478386 -0.0174951667 -0.0180480271 0.0276845111 -0.0808648522 -0.0370383883 0.0475240997 -0.0708798094 -0.0757720555 0.0587355201 -0.1017548236 -0.0822721541 0.0851801890 -0.1325153379 0.0301943762 0.0509977697 0.0023976046 -0.0162023610 -0.0279918003 0.0337938005 -0.0870511207 -0.0534982767 0.0194200567 0.0193332050 -0.0451196120 0.0232859049 0.0533902965 -0.0474310549 -0.0142689768 0.1206489211 -0.0145826799 0.0819495487 0.0826162395 -0.1021527363 0.0146032934 0.0004865254 -0.0402360096 -0.0009252545 -0.0454312484 -0.0284964750 0.0140151215 -0.0104639210 -0.0681274028 -0.0225108305 0.0450374644 0.0635452229 -0.0859569734 0.0887067362 0.0935716215 -0.0417685063 0.0577792858 0.0432516501 0.0276070249 0.0124584198 0.1335453640 0.0166664918 0.0176477334 -0.0333595322 0.0589400770 -0.0200338487 -0.0518192462 -0.0160545144 0.0536117678 -0.0866746627 0.0433256991 -0.0067682870 -0.0260817150 0.0494455438 -0.0337003276 -0.0235715697 0.0312933354 -0.0157646130 -0.0315297127 0.0665290832 0.0129288943 -0.0065887226 0.0695652410 0.0124309640 -0.0024877301 0.0602815999 0.0361893925 -0.0076857185 0.0767363743 0.0041809641 0.0099736013 0.0220186622 -0.0518582165 0.0419254367 0.0183766669 -0.0706271676 0.0498609919 0.0033771643 -0.0402282749 0.0705718812 0.0351795121 -0.0833128414 0.0202442890 0.0452841165 -0.1170483774 -0.0348081680 0.0444807440 -0.1238523611 0.0677873326 0.0157476794 -0.0061895684 0.0048258481 0.0481083117 0.0326131579 0.0451199110 -0.0078148432 -0.0003573923 -0.0222012014 -0.0211544136 0.0272498415 -0.0319539229 -0.0498878350 0.1060891525 -0.0460626245 -0.0588939722 -0.0212106403 -0.0907112265 0.0221424246 0.0251305314 0.0211242304 0.0762563075 0.0819342132 0.0917327876 0.0418440084 -0.0727111406 0.0385242683 -0.0177001896 0.0646396749 -0.0247375825 0.1025858646 0.0071611138 0.0092018894 0.0353879562 -0.0095192986 0.0184333057 0.0006689665 -0.0212906984 0.0221673437 -0.2471942187 -0.1350590542 0.0831978753 -0.2270127747 -0.1944364885 0.0999636744 -0.2936421537 -0.2520332684 0.1545809413 -0.3626817637 0.0016258120 0.0777082589 -0.0460384766 -0.0888375779 -0.0423606445 0.0151144439 -0.2363169305 -0.0982810990 0.0149546152 -0.0408108940 -0.0754570873 0.0026229757 0.0964741189 -0.0498814698 -0.0803755166 0.2324788231 0.0075525938 0.1576715952 0.1511153047 -0.1250426406 -0.0401767335 0.0536743117 -0.0371029548 -0.0369316332 0.0862262939 -0.0521497694 -0.0786409775 0.0280310493 -0.0211958435 -0.0276104993 0.0589466732 0.0480455991 0.1421998545 0.0941841504 -0.0719241327 -0.0197183313 0.1266431423 0.2400853356 -0.1809412337 -0.0360108614 -0.0302903922 -0.0582738614 0.0488118105 0.0586413231 -0.2090551275 0.0246705951 0.1713138885 0.0836614256 0.1272195509 0.1341199411 -0.0697870034 -0.0276934398 -0.1669278106 0.0986393566 -0.0218161834 -0.2815583698 -0.2207738283 -0.0963361544 -0.2656574073 -0.0894179312 -0.0146892139 -0.1164433453 -0.1036918302 -0.0318739836 -0.1704108586 -0.1689585986 0.0062590723 -0.0586873014 0.0211629772 -0.0036787864 -0.0487328349 0.0244391416 -0.0335045362 0.0879514740 0.0471642528 -0.1019673541 0.0984693287 0.0129973002 0.0041470760 0.1572177779 0.0326190904 -0.0643793681 0.0620128969 0.0454202034 -0.0992169863 0.0041938042 0.0351940632 -0.1103209701 0.1090434217 0.0279170591 0.0045637019 0.0384678237 0.0438331768 0.0376277809 0.0805801791 0.0244680282 0.0316099877 0.0148664086 0.0129299537 0.0017095973 -0.0206788718 0.0431193013 0.0261596591 -0.0453376783 -0.0080525908 -0.0122665653 -0.0296342851 -0.0159486315 -0.0142596676 -0.0438088185 -0.0053128001 -0.0100012615 -0.0439234071 -0.0464733477 -0.0247762631 -0.0280144232 -0.0187867925 -0.0190698244 -0.0782816159 0.1228085370 -0.0041801578 -0.0497544687 -0.0080249190 0.0071659890 0.0106366486 -0.0774342052 0.0291475661 0.0190907512 0.0045712248 0.0906169191 0.1027443246 0.0757733604 0.0801912466 0.0949468613 -0.0103584978 0.1162203261 0.1749125905 -0.0295910992 0.0805570948 0.0573673334 -0.0347206217 0.0868984151 0.0634918144 -0.0062807666 0.0924508471 0.0923847859 -0.1031716998 0.1124291080 0.0728277277 -0.0314969781 0.0338470477 -0.0225836390 -0.0273069607 0.0255953960 -0.0285349555 -0.0892197539 0.0374086443 -0.0666710232 0.0325837193 -0.0422696605 -0.0343352172 0.0496772442 -0.1231171068 0.0229341797 0.0671869775 -0.0412840669 -0.1168913065 -0.0180449019 -0.0292147622 0.0109722138 0.2230614333 -0.0998529211 -0.1279960698 -0.0323975797 0.0598442664 0.1959245981 -0.2454841704 -0.1062455535 -0.1496121427 -0.0182073238 0.0384394538 0.1546764196 -0.2102784545 0.1106190186 0.2680177918 0.1663775818 0.0872418061 0.2881080700 -0.0032745427 -0.0464888554 -0.0265057163 0.1338618817 -0.0562489809 -0.1168590870 -0.1280085791 -0.1229994402 -0.0962883342 0.0181061700 -0.0307485080 -0.0195966430 0.0285380566 -0.0470570387 -0.0260915708 0.0113887172 -0.0228927460 -0.0164011312 0.0281957302 -0.0115668876 -0.0287421452 0.0067385480 -0.0207560926 -0.0690283923 -0.0126400262 0.0173420740 -0.0724053763 -0.0098150794 -0.0411412731 -0.0946229477 0.0219341711 -0.0360199587 -0.0620409899 0.0298763635 -0.0276342143 -0.0537718318 0.0209932621 -0.0341402221 -0.0654905336 0.0122494994 -0.0490810645 -0.0487553774 0.0395590993 -0.0529024155 -0.0733967169 -0.0090331827 -0.0925516462 -0.0358659778 -0.0207612751 0.0088996338 -0.0086565003 -0.0895604257 0.0581527039 0.0089799847 -0.0498976908 -0.0248497439 -0.0473828402 0.0672142684 0.0537296399 0.0639264056 0.1374614650 0.1157826410 0.1314086989 0.1220429040 -0.0422367341 0.0657278851 0.0112083733 0.1223040035 0.0527512899 0.0153881893 -0.0035983120 -0.0271726687 0.0394159837 -0.0097718190 -0.0399758664 0.0643907296 -0.0122666981 -0.0430980920 -0.0077142686 -0.0078401471 -0.1084658074 0.0317753215 0.1103148738 -0.1525594199 -0.0122661279 -0.0193886644 -0.1012430601 -0.0160836464 -0.0924461289 -0.1927554007 -0.0434950976 -0.0250610113 0.0533494181 -0.0403994466 0.0689856974 0.1272234608 -0.0723101105 -0.1313985434 0.0986690354 -0.0443115981 -0.0242852118 0.0646815066 -0.0418086869 -0.0528172733 0.0359315007 -0.0472013796 -0.0400105520 0.1116001680 -0.0386193002 0.0430129747 0.0562450076 -0.0114016040 0.1340766240 0.0315037925 -0.0597868314 0.0450664647 0.1070199805 -0.0489313458 0.0926185240 -0.0437270891 0.0670277710 0.0117446749 -0.0983414214 -0.0900926875 0.1619992413 0.0193873867 -0.1717426428 0.0434233078 -0.1251847866 0.0128532019 0.1616547393 0.0491884670 -0.0659106270 0.2441062640 0.0799798904 0.0988263553 0.1865565837 0.1092743221 0.0578738093 0.0999825902 0.0178454253 0.0803797691 0.0910968341 0.0049303855 0.0283745123 0.0622315788 0.0133354090 0.0833535854 0.1012341477 0.0064527700 0.0929334462 0.1289581954 0.0643096200 0.1333748351 0.1112232751 -0.0360059634 0.0227515370 0.0603093878 -0.0162736380 -0.0736679494 -0.0260932545 -0.0270545840 -0.0976561276 -0.0167631786 -0.0175733701 -0.1201432995 -0.0327725734 -0.0142225949 -0.0407872237 -0.1009215057 -0.0422437166 0.0001963387 -0.1112427320 -0.0795259507 -0.0458053991 -0.1470260096 -0.0026884616 -0.0722476847 -0.0818465957 -0.0298644631 -0.0454631367 -0.0698142025 -0.0287203719 -0.1063405868 -0.1125770282 -0.0395459005 -0.1135861153 -0.0272043255 -0.0084841535 -0.1649362262 0.0284623759 -0.0022669106 -0.1503244551 -0.0649950196 -0.0485588773 -0.0491421593 0.0031398365 0.0486629349 0.0174671821 0.0621244033 0.1131529320 -0.0157975929 -0.0920674425 0.0594989563 -0.0997506055 0.0601340413 0.0182920697 0.0202763322 0.0792687352 -0.0123787664 -0.0148538073 0.0407060473 -0.0241521312 -0.0135111601 0.0344391164 -0.0247281317 0.0947790136 -0.0730210275 0.0897550693 -0.0100543067 -0.2029563610 0.1473871329 0.1343797713 -0.0137929654 -0.0015252934 0.1831297214 -0.0170031481 0.2345772953 0.0765705419 -0.0674266813 -0.0541026674 0.0186508142 -0.1419015547 -0.1616701925 0.1521547295 0.0415242526 -0.1124852304 0.0536836562 -0.0914157029 0.0105326825 0.0815238764 -0.1048038924 0.0261274231 0.0552991124 -0.0986597940 0.0321783075 0.0056624619 -0.0677706306 0.0184752787 -0.0169051094 -0.0993692989 0.0056521270 0.0680386041 -0.0077532603 0.0367818499 -0.0358490384 -0.0006658154 0.0107739601 0.0224391936 -0.0362806185 -0.0179880469 -0.0748966491 0.0584140561 0.0534160377 -0.1055200541 -0.0561611648 -0.0161205520 0.0231055022 0.0353236667 0.0297155906 -0.0171710055 0.0714954840 0.0472917243 0.0704845644 0.0698363930 0.0490097059 0.0613686901 -0.0146982367 0.0006456825 0.0884084003 -0.0310016437 -0.0133737112 0.0307991015 -0.0473382771 -0.0078602799 0.0935208167 -0.0009705918 -0.0060302782 0.1105581096 0.0079622271 0.0377338765 0.1316555945 0.0139831282 -0.0404463787 0.0511613472 -0.0145241218 -0.0260931895 0.0363514029 -0.0028431434 -0.0401818252 0.0552859112 0.0127281992 -0.0562717251 0.0444602026 -0.0098464781 -0.0557698486 0.0285487930 0.0331454670 0.0084252181 0.0390231201 -0.0124609151 -0.0650809776 0.1067287093 0.0173315179 0.0968221983 -0.0848763855 0.1328412165 0.0475678892 -0.1897632396 0.1708418235 0.1807586720 -0.1268096888 0.2423588220 -0.0781361695 0.0105510960 0.0140190545 0.0677866191 0.0989889945 -0.1322350918 0.0757563923 0.1154357666 0.1094654686 0.1594134809 -0.1323199967 -0.0635215869 -0.0453007059 -0.3934988332 -0.2688119632 -0.2439462064 -0.1723294829 0.2669093672 -0.1146791255 0.0514988558 -0.2546548903 0.1286032757 0.0468807849 -0.0037706507 -0.0251776051 0.0325904732 -0.0209620989 -0.0354404321 0.0312090552 -0.0331594753 -0.0357196662 -0.0089825636 -0.0221911280 -0.0212351485 0.0234576438 0.0033839897 -0.0339913748 -0.0124236890 -0.0127836537 -0.0016698682 -0.0151894435 -0.0495093700 -0.0525828229 -0.0343380863 -0.0292046655 0.0124248414 -0.0356039897 -0.0025689553 0.0316178223 -0.0477237154 -0.0513998868 0.0240199536 -0.0354898707 -0.0365797657 0.0118139835 -0.0291249429 -0.0422544195 0.0108909420 -0.0373130955 -0.0400209766 0.0213806358 -0.0343698424 -0.0237439978 0.0065265240 -0.0085166548 0.0175958247 0.0025957097 -0.0263045760 -0.0100873160 0.0205221024 0.0120618303 0.0374964247 -0.0119408623 -0.0738420684 0.0491246758 0.0409916262 0.0156321125 0.0031824363 -0.0886370069 0.0928163905 0.0741237004 0.0386618876 0.0180206186 0.0230372150 -0.0461252074 0.0650527050 0.0121576603 -0.0756955151 -0.0268225114 0.0116444784 -0.0776919128 0.0218020102 0.0350546972 0.0036890208 0.0159730205 -0.0040916088 0.0166869678 0.0283829514 0.0620842223 -0.0064065917 0.0197451255 0.0471614014 0.0433924571 0.0136708962 0.0577049202 0.0492651422 0.0134646295 0.0650710907 0.0437767023 0.0310929271 0.0397685249 0.0521782880 -0.0262259391 0.0193761881 -0.0038501467 -0.0444667988 0.0445571554 -0.0040797910 -0.0308168957 0.0040729098 -0.0275493085 -0.0220155997 0.0067532920 -0.0096607731 -0.0164828249 0.0188507602 0.0067794364 -0.0381253702 0.0075754091 -0.0255071104 -0.0061074684 -0.0189273201 -0.0118856601 0.0066371449 -0.0282312750 -0.0353687203 -0.0002619363 -0.0375365903 0.0081416587 -0.0187664267 -0.0033548556 -0.0112932170 -0.0336095741 0.0202367555 -0.0122244958 -0.0316469361 -0.0186578467 -0.0290305683 0.0027023761 0.0019433880 0.0106811466 0.0403429477 0.0353263607 0.0471618859 0.0087135493 -0.0541252426 0.0228191831 -0.0238154697 0.0282474482 -0.0198786714 0.0907112604 0.0873181247 0.0633241103 -0.0099620961 0.0103669184 0.0242855775 -0.0327665823 -0.0375232034 0.0251637564 -0.0450504480 -0.0245891409 -0.1798014293 0.1992133511 0.2171342316 -0.2926304176 -0.1192358525 -0.0913961328 0.0269614345 -0.2068648129 -0.1541687179 -0.4705199495 -0.0712799205 -0.0456249439 0.0948777091 0.0300000761 0.1174332519 0.3068849273 -0.2200261432 -0.2542174224 0.2084221391 -0.0382366253 0.0044692584 -0.0117521863 -0.0836043149 0.0621128846 0.0003818104 -0.0074884090 0.0305099224 -0.0714427399 0.0151414739 -0.0643676114 -0.0203616107 0.0220442032 -0.1509284306 0.0257472839 0.0644953106 -0.0480336077 -0.0954877061 0.0389527240 -0.0363981162 0.0147302047 -0.0651051334 0.0467048394 0.0606526251 0.0876271231 -0.1102984083 -0.0394453687 0.1542347574 0.0185342419 0.0853892385 -0.0314572829 -0.1054054378 -0.0689482862 0.0146668851 -0.1862246416 -0.0771008069 -0.0905535258 -0.1212150644 -0.1079846957 -0.0743859934 -0.0625322090 -0.0777926912 -0.0492851617 -0.0679604713 -0.0919402847 -0.0941016218 -0.0322610990 -0.1139097712 -0.1054067851 -0.0489465698 -0.0142698164 -0.1323806725 -0.0885103078 -0.1279687706 -0.2342702144 -0.0328342213 0.0855443256 0.0753097818 0.0278901590 0.0616704146 -0.0388558162 0.0420949863 -0.1071655459 -0.1020573634 0.1340019799 -0.1063910716 -0.0069772097 -0.0086768326 -0.2091089131 -0.0600681723 0.0727211514 -0.1164269803 -0.0718882781 0.1044096596 -0.0570543031 -0.0665451211 0.1113297436 -0.1600583157 -0.0714635897 -0.0068770696 -0.0829610717 -0.1079328516 -0.0474028216 -0.1218906372 -0.0794776614 -0.0350962398 -0.0696265161 -0.0392139107 -0.0165303362 0.0180165404 -0.0723748237 -0.0838293888 0.0602323020 0.0091512866 0.0225729275 0.0515408026 -0.0192257167 -0.0015697345 0.0330533092 -0.1041088758 -0.0615880809 -0.0178345004 0.0270089901 0.1018331047 -0.0139848432 0.0318553714 -0.0395166777 0.1424568083 0.2864175244 0.1244906928 0.0791324052 0.0133768073 -0.0168393375 0.0162715032 0.0154773636 -0.1049567703 0.0119372443 0.0520880128 -0.0080658856 0.0731813334 -0.0854748361 -0.1015562102 0.1225549083 0.1038528092 0.0467460002 -0.0623009524 0.1598517522 0.0234347972 0.2162882877 0.0363475644 -0.0042655861 -0.0197160647 -0.0316264524 -0.0595898571 -0.1220477104 0.1251566327 0.0776542525 -0.0718819431 0.0130010685 -0.0210289427 0.0667388887 0.0434769923 -0.0310482000 0.0868698227 0.0257574524 -0.0236387606 0.0823185909 -0.0465855777 0.0007350822 0.0758902296 -0.0521254494 0.0480632046 0.0444958547 -0.0552999455 0.0134027323 0.1235100501 -0.0403385616 0.0402860592 0.0019122408 0.0199746519 0.0241809065 -0.0331629773 -0.0916350583 0.1214086974 0.0672521377 -0.1174781345 -0.0495932108 -0.0082692226 0.0379422737 0.0657438304 -0.0140336869 0.0074668788 0.0910609056 -0.0002712084 0.0803606834 0.1166900390 -0.0103225160 0.0752152881 0.0119266867 -0.0439209111 0.1180264924 -0.0170549987 -0.0644206184 0.0297034748 -0.0002992378 -0.0793193454 0.0684225558 0.0261141737 0.0013999126 0.0726322205 0.0691075567 0.0768965746 0.1246251256 0.0492896632 -0.0496797808 -0.0127984161 -0.0548485190 0.0213648021 0.0072924958 0.0109873149 0.0318440777 0.0598194415 -0.0375088553 0.0206866664 0.1197613206 0.0370125550 0.0175279602 -0.0784167020 0.1798309777 0.0382620550 -0.1893501886 0.2577774415 0.2169069807 -0.1206554315 0.3326196221 -0.1486949648 0.0713122373 0.0160124148 0.0010127888 0.0979642300 -0.0608527139 -0.1406923910 0.1729801563 -0.0362792544 0.1408507318 0.0812998019 0.0088087720 -0.0220430762 0.0893781800 0.0137796152 -0.0280492333 0.0797347360 0.0075593000 -0.0230667578 0.0919839580 0.0141491877 -0.0186866695 0.1811036425 0.0785004773 0.0369473820 0.0760142890 -0.0901204811 0.0154120811 0.0343339453 0.0674005652 -0.1004262428 0.0654760266 -0.0437165880 0.0304015160 -0.1166022236 -0.1187675320 0.0217492355 -0.1173619346 -0.1094967360 0.0238435216 0.0275670405 -0.0128575022 0.0577025173 0.0572265676 -0.0811375843 0.0746142597 0.0418245426 0.0713358267 0.0724656410 0.0606824637 -0.0286442988 0.0787563752 -0.0671585717 -0.0266836383 -0.0107804987 -0.0922910080 -0.0156838085 -0.0254539789 -0.0921159827 0.0256189718 -0.0230853410 -0.0847607161 -0.1129421593 -0.0215583633 -0.0454941749 -0.1953688270 -0.0711631980 -0.1675299421 -0.1500744342 0.0430622575 -0.0611881525 -0.0333375438 -0.0214862971 -0.0880430610 0.0072127850 -0.0533034861 -0.1288348819 -0.0836123623 0.0135871069 0.0289799120 -0.0427939023 -0.0274286115 -0.0746090885 -0.0897483984 0.0522697228 0.0661694153 -0.1442425423 -0.1818540363 0.1406827178 0.0966294611 -0.0191992354 -0.0204239234 -0.0317680014 0.0386977866 0.0347912336 -0.0136344295 -0.0052172488 -0.0860273231 -0.1124415988 0.0347968267 -0.0465438852 0.0360757337 0.1394369459 -0.2033257153 0.1333831787 0.2152142824 0.0936559705 0.0390353129 0.2686600916 -0.0403203807 -0.0300161912 -0.0216159239 -0.0307635717 -0.0778706961 -0.0765939948 -0.0401943485 -0.1131542748 0.0017037225 -0.0095726552 0.0594984566 -0.0867603268 0.0144418263 0.0043183937 0.0104258357 0.0968329626 0.0001791122 -0.0333657730 -0.0755898966 0.0017558568 0.0527657605 0.0866760260 -0.0676055959 0.0917384591 0.1607074370 -0.0987566343 0.0038976628 0.1027837321 -0.1411129780 0.1780601046 0.0655935189 0.0188605564 0.0786473627 0.0882165905 0.0697769857 0.1439043963 0.0599220098 0.0647075881 0.0390748785 0.0411847516 0.0213123402 -0.0245139717 0.0770747913 0.0930947226 -0.0696884565 -0.0057571756 -0.0202606804 -0.0633514197 0.0184150552 0.0013185213 -0.0403792599 0.1176575877 0.0717453081 0.0199192582 -0.0355349040 -0.1198480731 0.0147819550 -0.0412383210 0.0455789259 -0.1689970271 0.0832743257 0.1592735650 -0.0616456639 -0.0524046090 0.0274228906 -0.0925928643 -0.0999045505 0.0442304618 -0.0860364249 0.0243668557 -0.0290732664 0.0282241396 -0.0514057724 -0.0626172453 0.0494682210 0.0752028605 0.0628141162 -0.0764793748 0.1390807725 -0.0695412291 0.1140836592 -0.0796962066 -0.0500108794 0.0308897441 -0.0877558983 -0.0044335056 0.0578243151 -0.1277473861 -0.0484004992 0.0432690799 -0.0899558460 -0.1227512259 -0.0051769441 -0.0638062599 -0.2187887702 -0.0848022330 -0.1726900477 -0.1689445886 0.0865498205 -0.0266145261 0.0005340228 -0.0264609411 -0.0216566947 0.0418067035 -0.0410669592 -0.0118563078 0.0266429661 0.0105653461 -0.0269490169 -0.0139833292 0.0047102245 0.0152152535 -0.0334192068 -0.0177623510 -0.0692726560 0.0479480023 0.0459644453 -0.0841637132 -0.0796828467 -0.0032694479 0.0310260810 0.0079191107 -0.0053567339 0.0353761170 0.0230892979 -0.0130649334 0.0306377835 0.0235581278 -0.0159858037 0.0403757267 0.0028320826 0.0045890883 0.0131203348 0.0330729847 0.0143682802 0.0619146493 0.0039141103 0.0241506828 0.0085411011 -0.0202247851 -0.0216613144 -0.0152923193 -0.0147329269 -0.0555748474 -0.0071886051 -0.0574672315 0.0011307559 0.0092453672 -0.0129046434 -0.0175819325 -0.0008397110 0.0205240502 -0.0440206560 0.0182405164 0.1023265803 -0.0820439984 -0.0191430657 -0.0240972669 -0.1103729799 -0.0011530381 0.0545383536 0.0448042214 0.0036571026 0.0917934013 0.0978104807 0.0036051112 0.1024797127 0.0045487944 0.0087818191 -0.0011963443 0.0599935946 0.0300636836 -0.0156573810 0.0215391354 0.0318858488 -0.0161391145 0.0931313989 -0.0149530116 0.0038330404 -0.0043100532 0.0230770424 0.0638137336 -0.0462892235 -0.0543198728 -0.0324681242 -0.0394812572 -0.0503763417 -0.0340267260 -0.0181151093 0.1377004641 0.1102192703 0.1178996522 -0.1466634371 -0.2868095690 0.0904776862 -0.1644917283 0.0483958396 -0.2731706881 0.0278048105 -0.0088776371 -0.0183793855 -0.0078660390 -0.0217033996 -0.0196846449 0.0158827798 -0.0209860019 -0.0227698900 -0.0864094977 0.0150077699 -0.0769033442 -0.4724453524 -0.0137601384 -0.0074146228 0.0207823478 -0.0008084906 -0.4603204381 0.1402809127 0.0580804411 0.2045554803 -0.0052607782 0.0259584448 -0.0492960790 -0.0640088211 -0.0158737970 -0.1318618233 0.1108714347 0.0340063144 -0.0830176051 -0.0152386556 0.0389299533 0.0424078263 -0.0027508020 0.0355032440 0.0531472120 -0.0119865659 0.0441940721 0.0265170767 0.0181708128 -0.0086745066 0.0381698466 0.0666197380 -0.0452678120 0.1027866190 0.0270355355 -0.0278194849 -0.0311848183 -0.0126522993 0.0112611689 -0.0174294168 -0.0501797846 -0.0339656364 0.0187973776 -0.0227824412 -0.0057569329 -0.0873371052 0.0178617288 0.0495100225 -0.0154951925 0.0074694489 0.0346306916 0.0179738815 0.0141554823 0.0621205964 0.0049665464 0.0028402939 0.0214760639 0.0221046047 0.0097498799 0.0402991374 0.0453837114 -0.0521142691 0.0950953278 0.0702847983 0.0609617761 0.0344977617 0.0968464709 -0.0212838015 -0.0064067627 -0.0199540143 -0.0470125116 -0.0064641229 -0.0646004118 -0.0389462432 -0.0634188668 0.0099141152 -0.0127720346 -0.0058392729 -0.0187542569 0.0077403953 -0.0498174159 0.0813972460 0.0141912620 -0.2259236895 0.1382353476 0.0815421846 0.0474704393 0.2077165792 -0.0331150633 -0.0262413306 -0.0447413458 -0.0863079178 -0.0571196003 -0.0606206417 -0.0454282075 -0.0351757540 -0.0498057416 -0.0008270702 0.0042415788 -0.0784391274 -0.0209813885 0.0008688698 -0.0692658204 0.0010379554 0.0095416869 -0.0793658095 0.0356831315 -0.0064468716 0.0010759467 -0.0127115510 -0.0894080143 0.0569289578 0.0905703085 0.0444694275 0.0506779728 0.0866260898 0.0471557925 0.0194898618 -0.1530662554 -0.1381431035 -0.1570969345 0.2170702669 0.3746553364 -0.1237067904 0.2312309324 -0.0542109324 0.3552255159 0.0257347640 -0.0008916353 -0.0155038657 -0.0450197484 -0.0207336361 0.0077287565 -0.0684561021 0.0185657243 0.0119610322 -0.0604984580 0.0059814978 -0.0450798644 -0.3255064398 -0.0095750337 0.0009320845 0.0164947037 0.0045409319 -0.3131761330 0.1028123515 0.0258813583 0.1472359264 -0.0211857866 0.0092415291 -0.0140768501 -0.0417887410 -0.0003110344 -0.0391759028 0.0218773527 0.0008024946 -0.0226785930 -0.0240436453 0.0038937012 0.0135640874 -0.0129713075 -0.0260238918 -0.0072018982 -0.0522947318 -0.0057023351 0.0252811797 0.0203267964 0.0018133050 0.0082039255 0.0313505161 -0.0323371814 0.0423193123 0.0115979224 -0.0233195566 -0.0333402496 -0.0035290455 0.0007821536 -0.0178063044 -0.3980364782 -0.1445630085 0.2771625285 0.0213072538 -0.2301969915 -0.5308462446 0.3709833891 0.3314019880 0.1030237483 -0.0070214075 0.0462023500 0.0852720968 -0.0944924120 0.0971181886 0.1313617911 0.0784780091 0.0556850683 0.1547375607 0.0018930984 -0.0053513476 -0.0206604606 0.1058774657 -0.0105155709 -0.0897407712 -0.0941573232 -0.0612744264 -0.0762038038 0.0058315651 -0.0041255122 -0.0201353485 0.0045933779 -0.0056471697 -0.0249077703 0.0006610472 -0.0077469060 -0.0153502361 0.0096654924 -0.0125460390 -0.0142757963 0.0088164757 -0.0025052501 -0.0001733380 0.0066345251 -0.0131305019 0.0048215003 0.0293893097 0.0050025023 0.0019453472 -0.0114336198 0.0245782385 -0.0032434546 -0.0309291423 0.0367317840 0.0258638667 -0.0122722177 0.0519658101 -0.0300431187 -0.0054645265 -0.0029384204 0.0021543961 -0.0029317848 -0.0161528642 -0.0206786855 0.0004148747 -0.0170646171 0.0183743212 -0.0079071895 -0.0017956548 0.0052366861 -0.0020860885 -0.0018887618 0.0022447878 -0.0093049056 -0.0023511154 0.0053899716 -0.0171807025 -0.0096625975 0.0012330372 0.0201880504 0.0193522670 0.0289781058 -0.0391088826 -0.0613650847 0.0244369011 -0.0395489919 0.0054524377 -0.0529832338 0.0087097890 -0.0339507558 -0.0202381498 0.0097644130 -0.0046030808 0.0008635373 0.0100038987 0.0027304300 0.0009038624 -0.0029877004 0.0020474406 0.0013107415 0.0307039068 0.0050931842 -0.0047243729 -0.0172989301 -0.0111996486 0.0407285954 -0.0346567336 0.0085152395 -0.0268867605 0.0086393716 0.0050373660 -0.0075860978 0.0036010830 -0.0041610656 -0.0189100520 0.0198777182 0.0120858808 -0.0130850068 0.0069712888 0.0076885962 0.0040807512 0.0097777843 0.0126133773 0.0126685351 0.0123010205 0.0107150396 -0.0019819740 -0.0035786123 -0.0032926452 0.0065627440 0.0003032981 0.0002468861 0.0073460748 -0.0034606195 -0.0028060434 0.0064363107 -0.0077379529 -0.0555648041 0.0141196609 0.0834763217 -0.0689918978 -0.0417384580 -0.0351261235 0.0091539319 0.1029807827 -0.1039677300 -0.1275209067 -0.0258033120 0.0160413503 -0.0350146228 0.0200983255 0.0575799867 -0.0285117622 -0.0111845514 -0.0290216476 -0.0647477067 -0.0009320426 0.0079374994 0.0087683849 0.0866340256 -0.1306396222 0.0982932064 0.1517358155 0.1325614716 0.0000872090 0.2083072776 0.0223988788 -0.0365360993 -0.0689934807 0.0327033715 -0.0643534742 -0.0917510820 0.0355524930 -0.0995618893 -0.0626561759 0.0300368137 0.0200868830 -0.1090296698 0.0340279066 -0.0120771095 0.0939845332 0.0382954504 -0.2455177637 0.1719851595 0.1626709877 0.1249540128 0.2597964660 -0.0819919563 0.0927968264 -0.0268074783 -0.1989367380 0.1302004510 0.0945761588 -0.1092685733 0.1973836375 -0.1521173005 -0.0266528389 -0.0257534903 -0.0262293395 -0.0104171641 -0.0935979487 -0.1450855071 0.0044219842 -0.1041530020 0.0631772863 -0.0347022387 -0.0136723939 0.0230637508 -0.0341638300 -0.0416945262 0.0331259918 -0.0256322677 -0.0007350961 0.0401958436 -0.0499232090 -0.0260695350 0.0201553850 0.0164647880 0.0290457317 0.0767626759 -0.0900785792 -0.1267034870 0.0641400789 -0.0897712811 -0.0007114697 -0.0824739721 0.0537790411 0.0068655444 -0.1191614418 0.0184209123 0.0652349258 -0.0184206054 -0.0378735869 0.1428847034 -0.0108252939 0.0002310896 -0.0044157790 0.0027891909 0.2275396065 0.0438072105 -0.0469536572 -0.0873563944 -0.0737344786 0.2536497032 -0.1893469295 0.0092552499 -0.1898190898 0.0423497086 0.0052249696 0.0028769426 0.0560035951 -0.0041342566 0.0076729748 0.0469271755 -0.0055041605 0.0056731166 0.0437699159 0.0402769262 0.0206253190 0.0441451504 0.0705832593 0.0546191086 0.0822155629 0.0549137190 -0.0010980833 -0.0203219290 0.0068431678 0.0322321441 -0.0412159489 -0.0178363300 0.0200852998 0.0244798872 0.0549939227 0.0475175826 -0.0915690781 -0.0483438999 0.0094674653 -0.1318005617 -0.1799781720 0.0698216490 -0.2487915152 0.0866230352 -0.0765592960 -0.1248364599 -0.1563945550 0.0534932929 0.1241654140 0.0434209502 -0.0032127737 0.1324015903 0.1042675396 -0.0276273745 0.1207810855 0.0812962129 -0.0307172445 0.1100686265 0.0596081149 0.0030138708 0.0769873481 0.1597258863 -0.0053164783 0.1462435754 0.1076743763 0.0086475908 -0.1183730161 -0.0518668329 -0.0301649262 -0.2899152408 -0.0208094529 -0.2967724432 -0.3050711660 -0.2407943799 0.1711127788 -0.0043497389 -0.0086492541 0.0283528219 0.0039633296 0.0218602224 -0.0049528626 -0.0374497726 0.0610422201 0.0037464622 -0.0017504783 0.0019482183 -0.0354621321 0.0072386623 -0.0025849550 -0.0211326358 0.0183212873 -0.0020761333 -0.0258733737 0.0009599255 -0.0167151324 -0.0126845683 -0.0116677841 -0.0094029348 -0.0089063444 -0.0127396280 -0.0120541034 -0.0121581975 -0.0267983508 -0.0211185034 -0.0151679641 -0.0194210620 -0.0017393724 0.0074615475 -0.0203171345 -0.0031161791 0.0084446267 -0.0212099671 -0.0026325850 0.0073518037 -0.0274904071 -0.0097886090 0.0074319515 -0.0085241869 0.0078301623 0.0275835620 -0.0443862054 -0.0440702889 0.0238471214 -0.0383307058 -0.0053543256 -0.0305912198 0.0045542526 -0.0351810636 0.0182995437 0.0526966593 0.0308706927 0.0383969181 0.0449595765 0.0039763433 0.0373408736 0.0270016923 -0.0046211774 0.0265915319 -0.1264694380 0.0355255437 0.0344690324 0.0831853305 0.0198042882 -0.1497066589 0.1492562236 -0.0469643650 0.1197582477 -0.0007634535 -0.0186490386 0.1154236043 0.0939130170 0.0477874584 0.2483370491 -0.1322145411 -0.0987513507 0.1793142052 0.0315360711 0.0082305780 -0.0298803882 -0.0202935592 0.0545574106 -0.0352565016 0.0544200808 0.0236240601 -0.0623203629 0.0161282927 0.0088565157 -0.0411773209 -0.0381088011 0.0234912089 -0.1027506297 0.0212736681 0.0358638870 0.0117068523 0.0478994937 0.0294209096 -0.0059366004 0.0743512402 0.1042577009 -0.0426797762 0.1364481226 -0.0448390174 0.0466641764 0.0629869301 0.0883969713 -0.0327079623 -0.0735363279 -0.0225411526 0.0020323186 -0.0777864882 -0.0563080742 0.0153469012 -0.0721224710 -0.0455537647 0.0175707385 -0.0641185230 -0.0326573347 -0.0030374682 -0.0368045005 -0.0919520002 -0.0024548962 -0.0940835679 -0.0571669026 -0.0160655115 0.0582772646 0.0335646482 0.0318839520 0.1324640986 0.0061019263 0.1226033742 0.1087121526 0.1410797085 -0.0380165190 0.0473280041 0.0173738315 0.0256486780 0.0536844865 -0.0009238568 0.0705449854 0.0095659440 -0.1537751480 0.1454635919 0.1477481658 0.0890328251 0.1743011922 -0.0280334075 0.0406818420 -0.0495165276 -0.0984992566 0.0553118313 0.0112722105 -0.0477293963 0.0860155654 -0.1098354785 -0.0292424561 -0.0260223040 -0.0317266657 -0.0234664472 -0.0680698726 -0.1021407536 -0.0406324629 -0.0917382458 0.0066650264 -0.0428116110 -0.0089183094 0.0308170241 -0.0413892503 -0.0402131961 0.0415950730 -0.0337232167 0.0047958792 0.0492971219 -0.0711132265 -0.0300514952 0.0225384954 -0.0023427320 0.0283705694 0.0840952781 -0.1283360183 -0.1409787857 0.0766615210 -0.1106660439 -0.0106411968 -0.1026643581 -0.0046403806 -0.0204543065 0.0114375946 0.0922907746 0.0611756456 0.0410286608 0.0094683630 0.0263544243 0.0483931542 0.0078702673 -0.0074349297 0.0042904754 -0.3028509530 -0.0267243240 0.0569856918 0.1324551966 0.0874175140 -0.3544370584 0.2804185047 -0.0595856792 0.2517499755 -0.0613628379 -0.0268438083 0.0651180953 -0.0074813426 0.0269405691 0.1539797773 -0.1580085406 -0.0759631245 0.1089662968 -0.0376248538 -0.0372830927 -0.0536884662 -0.0598022295 -0.0395862960 -0.0849706609 -0.0593121094 -0.0438708726 -0.0455001671 0.0291390459 -0.0029624900 -0.0837282253 0.0728870327 0.0475673954 -0.0862244912 0.0668931615 0.0323988409 -0.0822660717 0.0045496453 0.0246219430 -0.0117968116 0.0227821492 0.0341621010 -0.0261570881 0.0196455104 0.0160891563 0.0076609896 -0.0051719430 0.0313727262 -0.0256460731 -0.0128508664 0.0172246736 -0.0022271737 -0.0034161337 0.0191336603 -0.0093992454 -0.0200046131 0.0080325917 -0.0031426205 -0.0096666010 0.0171419618 0.0171586988 -0.0399348340 0.0314362522 0.0328946598 0.0144699274 0.0150188376 0.0410835960 -0.0149137838 -0.0009899455 -0.0001114186 -0.0246582848 0.0019456945 -0.0125180489 -0.0244422214 -0.0153674209 0.0118267051 -0.0068973597 -0.0134998084 0.0106302559 -0.0029679079 -0.0194796088 0.0043708359 -0.0153023954 -0.0809103251 0.0320282531 0.0327925598 0.0132802107 0.0416808686 -0.0027508344 -0.0312870106 -0.0637307983 0.0125582440 -0.0988114848 -0.1714586839 0.0148886948 -0.1157664324 0.0351777927 -0.0681231447 0.0686047493 -0.0494174568 -0.2503523192 0.0905966077 0.1102111378 -0.1051910954 0.2141715125 -0.1967447050 0.0823986708 -0.0586737519 0.0862882360 0.1094944998 -0.2784349707 0.1542971022 0.2052981593 0.0811205818 0.2439509452 0.0409990041 0.0354231508 -0.0309714214 0.3938111057 0.2093553824 0.0258518369 -0.1180912608 -0.2215533794 0.1038485768 -0.1775576796 0.2392542949 -0.3354433655 0.0111870047 -0.0217288723 0.0108667800 -0.0152424490 -0.0245872876 0.0075906147 -0.0024727865 -0.0219994412 0.0065430308 -0.0045202570 0.0017902328 -0.0012788839 0.0142798976 0.0054491267 -0.0053054030 -0.0140423064 -0.0102096873 0.0222627369 -0.0257714277 0.0078240518 -0.0190373846 0.0054736583 0.0036788991 -0.0022022571 0.0042283050 0.0013266619 -0.0052184247 0.0096147222 0.0043652102 -0.0036902183 0.0042108429 0.0026408911 0.0035079089 0.0066743159 0.0000454478 0.0038190938 0.0006874437 0.0023620987 0.0023280223 -0.0007391383 -0.0012199702 0.0072964218 -0.0114169505 -0.0047866471 0.0033776089 -0.0187775248 -0.0171451012 0.0086267824 0.0503176638 0.1339692980 -0.0670267960 0.1576757746 0.2042921267 -0.1552000382 0.1855406314 0.0313606388 0.0413460508 0.0139271463 0.2300202832 -0.1680881970 -0.1164418042 0.0775630630 0.0168111387 -0.0634669510 0.0796017630 -0.0210588182 -0.1584540345 0.0009105165 0.0247457248 -0.0872837724 0.0753058898 0.1341941123 -0.3076795199 0.1765894601 0.2502616343 0.0863893782 0.0175540626 0.3321584664 -0.0180058828 -0.0124777396 -0.0451767884 -0.0185764183 -0.0294808193 -0.0683616189 -0.0302349043 -0.0633207500 -0.0199967695 0.0248187808 -0.0665891557 0.0063280166 -0.0091665405 0.0099876316 -0.0827505017 -0.0358198260 0.2159314382 -0.1380469919 -0.0561004965 -0.1035208742 -0.2507010834 0.0239403444 0.0117770255 0.0126635231 0.0567958441 0.0346945243 0.0308699099 0.0345832973 0.0298664176 0.0048441056 0.0189365100 -0.0046883515 0.0221545016 0.0557299652 0.0019158317 0.0074398089 0.0219847569 -0.0217375198 0.0379358305 -0.0135922950 0.0205519038 -0.0255321376 -0.0138309832 0.0849142145 -0.0493027074 -0.0462562326 -0.0188891153 -0.0719744586 -0.0080454984 -0.0084857226 0.0006685866 -0.0841000412 -0.0432554059 -0.0060130438 0.0238501109 0.0407754941 -0.0255029434 0.0395739817 -0.0547239979 0.0591853776 0.1007285190 -0.1942329303 -0.0246462930 0.0195673020 -0.0655954305 0.0374712241 0.0753128949 -0.0929893306 0.0303943381 0.0003847040 0.0028103825 0.0000855440 -0.0299207601 0.0392725396 -0.0074816593 0.0035631016 -0.0228359076 -0.0314478147 0.0062042801 -0.0033565415 -0.0006012016 0.0238253934 0.0019557843 0.0531760422 0.0717324176 0.0277459660 0.1142700108 -0.0249993715 -0.0453355189 0.0830185603 0.0413386282 0.0408894536 0.0008226581 0.0042916542 0.1044870574 0.0327981196 0.0891835707 0.0704852302 -0.0605346841 -0.0093361029 -0.0147141704 0.0088732401 -0.0568839551 -0.0110304734 -0.0307024425 -0.0533066013 -0.0415661342 0.0370996923 0.0168855783 -0.0412956065 0.0231948612 -0.0142407829 -0.0230930333 0.0389459352 0.0355865068 -0.0702151687 0.0015275607 0.0536377769 -0.0161112142 0.0398829556 -0.0140560120 -0.0515094944 0.0097026053 -0.0440320479 -0.0721922246 0.0370443472 0.0120182394 -0.0375886020 0.0246929593 -0.0093282620 -0.0632572649 -0.0389316192 0.0626511833 -0.1256127512 -0.0667262847 -0.0729218625 -0.0861745241 -0.0857915364 0.0966767543 0.0200824996 -0.0023139751 0.1885318468 0.0073298863 0.1480092773 0.2186812201 0.1221966022 -0.1286082072 0.0010774186 0.0208196503 -0.0550457793 -0.0443731535 -0.0067119727 -0.0177226844 -0.0092653337 0.0270664628 -0.0463676170 -0.0798536623 -0.0255044286 -0.0318673965 -0.0190237930 -0.0040936295 0.0333981590 -0.0037694794 -0.0103303730 0.0152344211 -0.0087516659 -0.0091534466 0.0468569139 0.0006695297 0.0230357658 0.0162964317 -0.0254263143 0.0371133671 0.0559887141 0.0251723557 0.0777489725 -0.0016475058 0.0326146435 -0.0093387232 -0.0085291790 0.0349844862 -0.0198022114 -0.0057922465 0.0443894823 0.0019144816 0.0022720207 0.0507915860 0.0222489437 -0.0173820730 0.0649335762 0.0144498034 -0.0456856696 0.0705361614 0.0512407477 -0.0338896419 0.0389827264 0.0468314019 0.0211265433 -0.0215627942 0.0444744436 -0.0470353748 -0.0679309129 -0.0085009379 -0.0429744794 0.0030594348 0.0755498818 -0.0468206732 0.0077002991 0.0053789274 0.0078863211 -0.3324727307 0.0579816521 0.0420067748 0.1073195708 -0.0140510742 -0.3539946465 0.2126455823 -0.0163298859 0.2084691525 0.0598733553 0.0035443145 0.1390617497 0.1669785699 0.0533031163 0.2687440261 -0.0337151584 -0.1031561089 0.2020781844 0.0958327008 0.0965730981 0.0209101155 0.0156623178 0.1968148864 0.0521421961 0.1790054307 0.1401837794 -0.0640438360 -0.0073460631 0.0272198887 0.0333174664 -0.1845862785 -0.0901125325 -0.0529406875 -0.0207158818 0.0367401201 0.0918888881 -0.0132848751 -0.1122892299 0.0509408986 -0.0336731213 -0.1718503869 0.0799999232 -0.0813422264 -0.0552885210 0.0118685613 -0.0277532691 -0.1608931028 0.0710536821 0.0386315458 -0.0647298939 0.0424509407 0.0271118361 -0.0759886393 0.0528475003 0.0307853170 -0.0881226014 0.0492094467 -0.0105867014 0.0088153799 0.0127364757 -0.0129767922 0.0271435836 0.0071874829 0.0041002705 0.0204517906 0.0180110966 0.0459750593 0.0636349341 -0.0311771161 0.1254696831 0.0351781958 0.0708033193 0.1258514186 0.1239988157 -0.1128010076 0.0181487246 0.0471118552 -0.0176152329 -0.1586645879 0.1188368217 0.0201414324 -0.2568826305 0.3819675890 -0.0175062362 -0.2892820715 -0.0241735652 -0.1557030524 -0.0781962705 -0.0113471536 0.0515948556 0.0139558708 -0.0233255396 -0.0129555573 -0.1088704361 -0.0982287553 0.1043107476 -0.0482962791 0.0182772584 0.0156962999 -0.1220329883 0.0445389559 0.1078409475 -0.0086924468 0.1394197619 -0.0388481036 0.0079160489 -0.0516260202 -0.0263689072 -0.0059852647 -0.0496705015 -0.0191036215 0.0204577626 -0.0421081166 -0.0203815318 0.0772526910 0.0388638485 -0.0237502520 0.1122747880 0.0234956011 -0.0851353896 0.1496784021 0.1053660940 -0.0734909067 0.0447447713 0.1094623826 0.0915918642 0.0861195641 -0.1459060684 -0.0739762164 -0.0042906740 0.1360545219 0.1097020444 -0.0460912440 0.1218991190 0.1110863348 0.0511614935 -0.0329458235 -0.0018976405 0.1095237849 -0.1006903038 0.0124260706 0.0755667115 0.1053167408 0.0220875983 0.1157262314 -0.0840691274 0.0223521174 -0.0691932284 -0.0475581908 -0.0462405970 -0.0771587052 -0.0424805530 -0.0482646092 -0.0692743010 -0.0292495401 -0.0520560485 -0.0570243210 0.0109096441 -0.0413525875 -0.0960410306 0.0455090294 -0.0492123985 0.0145949428 0.0210507928 -0.0285709976 0.0087598911 0.0469151173 -0.0481915909 0.0689313209 -0.0028564569 0.0240154282 0.0878823253 0.0909719833 -0.1195499063 0.0011627923 0.0273329890 -0.0135442983 0.0044223063 0.0361759969 -0.0180180690 0.0152276939 0.0140593178 -0.0093456696 0.0052442587 0.0408366952 -0.0190320974 -0.0070008835 0.0183823488 -0.0079047589 -0.0056212380 0.0239039952 -0.0102968181 -0.0035687594 0.0251013332 -0.0089014262 0.0049610421 -0.0008088974 -0.0011885487 -0.0078880311 0.0111997971 0.0038717875 0.0125643629 -0.0068095364 0.0100334290 -0.0202374879 -0.0267530920 -0.0048516058 -0.0489905360 -0.0146329711 -0.0405198011 -0.0528848749 -0.0553229881 0.0293249805 -0.0043377968 -0.0186066554 -0.0035013845 0.0224225842 -0.0535387011 -0.0007104869 0.0588581412 -0.1158608171 0.0007310277 0.0517618901 -0.0153628014 0.0478764443 -0.0070783255 0.0079488307 0.0130158020 -0.0543831342 0.0143923627 0.0473119680 0.0135037862 0.0602608277 -0.0187949377 0.0007451112 0.0067100541 0.0113601817 0.0023483341 0.0050853467 0.0078486802 0.0096844380 0.0104066989 0.0171828076 0.0063162105 -0.0001534525 -0.0010893795 0.0118455916 0.0010269466 -0.0044100260 0.0077647517 0.0003041499 -0.0013397064 0.0061287289 -0.0000166894 -0.0043661008 0.0120749214 0.0021762891 -0.0049320323 0.0070684786 -0.0016157533 -0.0042041812 0.0024120697 0.0044343810 -0.0056219278 -0.0301340490 0.0339504889 0.0051156840 -0.0126613420 -0.0424527376 -0.0390432314 -0.0401151895 -0.0652039406 -0.0368379519 0.1486810171 -0.0703545441 0.0068977677 0.2185305880 -0.1672863805 0.0286242915 0.2148531719 0.2105834510 -0.0019013312 0.3115329054 -0.1989805384 0.0695086653 -0.0838958434 -0.0994834028 -0.0236468627 -0.0489374680 -0.0756207946 0.0266238040 -0.1118400960 -0.1120581547 -0.0098032931 -0.0355399371 0.1483120495 -0.0397146964 -0.1971240516 0.4469435233 0.1124564043 0.3036064318 0.2799288942 -0.2376738648 -0.0788577086 0.0059906210 -0.0083859393 0.0380165014 0.0197913522 0.0902172415 -0.1122639013 -0.0501753897 -0.0935519924 -0.0054883232 -0.0494315936 0.0233944254 -0.0197101526 -0.0844091593 0.0420488112 -0.0506054706 -0.0104182771 0.0010303907 -0.0147965941 -0.0854024212 0.0393526315 0.0260734151 -0.0222442982 0.0146727037 0.0150154520 -0.0320452239 0.0245812061 0.0240771133 -0.0361124546 0.0217485966 -0.0183482713 0.0312858478 -0.0060808190 -0.0159090202 0.0406133210 -0.0113785529 -0.0099653812 0.0574445600 -0.0157412236 -0.0026400451 0.0578186494 0.0001319033 0.0593769740 0.0738555309 0.1392736283 0.1076585306 0.1179524556 -0.1049798336 -0.0622849091 -0.0009097697 0.0026006947 0.0064672242 0.0746219870 0.0110017069 0.0053128482 0.0304884764 0.0279210828 0.0168711888 0.0858183807 0.0257107999 0.0922500402 -0.0466233868 -0.1029654282 0.1945551139 -0.0983902483 -0.2346726577 -0.0108947013 -0.2395561708 -0.0074773394 0.1214393799 -0.0091150623 -0.1123966157 0.2716610175 -0.0323332028 -0.2515147963 0.0450046611 -0.2336407849 -0.0108170336 0.0530881114 0.1436831412 0.0668176558 0.0507829656 0.0123805521 0.1158258391 0.0999658970 0.1975888219 0.1309413940 -0.0991752220 -0.0372031794 0.0572398000 -0.2280869328 -0.0418453587 0.1569667334 -0.2804980349 -0.1302597126 0.1592685616 0.0069370671 -0.2283484173 -0.1653960222 0.0388062487 -0.0585166944 -0.0006820096 -0.1033243644 -0.0244399661 0.0191175796 -0.0740180952 0.0104513852 0.0187257384 0.0216560189 -0.0171500850 -0.0026865324 0.0400614347 -0.0627755807 0.0104497081 0.0371896346 0.0557312223 -0.0002488049 0.0580174506 -0.0375216847 0.0176799460 -0.0292615743 -0.0210894113 -0.0215716365 -0.0269567933 -0.0190890511 -0.0186436830 -0.0195431706 -0.0208064306 -0.0247081942 -0.0214127110 0.0322412367 -0.0048966634 -0.0479955510 0.0094502502 -0.0556730277 -0.0001395142 0.0198219091 0.0448856495 0.0180597697 0.0805114609 0.0057362594 -0.0503332956 -0.0445317044 0.0358198543 -0.0158781400 0.0312280867 -0.0388508926 -0.0035749026 -0.0586358840 0.0274062911 -0.0222215615 -0.1092970929 0.0528420184 -0.0647768299 -0.0062989678 -0.0053696731 -0.0181322675 -0.1041289401 0.0458065646 0.0282078672 -0.0225137577 0.0184101542 0.0127806110 -0.0443499835 0.0347248525 0.0147003149 -0.0601934295 0.0316803030 -0.0448717416 0.0647295036 -0.0140846073 -0.0678130843 0.1134698691 -0.0137787793 -0.0042429999 0.1001869402 0.0027968285 -0.0179060884 0.0809174547 -0.0219555052 0.0613111387 0.1230528464 0.1739413677 0.1222636883 0.1862443314 -0.1625435379 -0.0742872768 -0.0219803858 -0.0099243838 -0.0329935989 0.0194482465 0.0106501061 0.0022689281 0.0081394286 -0.0078178122 -0.0397912526 0.0186610928 0.0146028065 -0.0057602498 -0.0129787878 0.0007021065 0.0140000940 -0.0242896939 -0.0265322904 -0.0292482620 -0.0548590113 0.0179865870 0.0165825625 0.0028035645 -0.0155408426 0.0436425352 0.0031599445 -0.0320478729 0.0065146106 -0.0282024810 0.0003488919 0.0153399790 0.0222905705 0.0072885982 0.0159599357 -0.0047683546 0.0173866692 0.0293629670 0.0357898740 0.0211266520 -0.0038449311 -0.0020413651 0.0049105124 -0.0256983572 -0.0056985188 0.0162435965 -0.0311218448 -0.0117136172 0.0188743800 0.0139356578 -0.0313163360 -0.0235321646 0.0315418238 0.0112120775 -0.0161958931 -0.0687094767 -0.0171230047 -0.0152159108 -0.2154530466 -0.1148277499 -0.0034643329 -0.0225916730 0.0273026164 0.0005907318 -0.1015628505 0.1176866188 -0.0176126509 -0.0352859983 -0.1066520362 -0.0598861368 -0.0615984513 0.0599413941 -0.0124603169 0.0736137496 0.0304769405 0.0530833621 0.0946325497 0.0394412143 0.0802850762 0.0189344244 0.0159431640 0.0741032193 0.0680747904 -0.0202221765 -0.0067949210 0.0601363805 0.2294069709 0.2551535991 0.1746781471 0.1118573982 -0.3421258852 -0.1102035697 -0.2932152195 0.0143532385 0.1216848645 0.1334804043 -0.0401781602 -0.2219425167 -0.3625627157 0.1024379843 -0.0029358825 -0.0629818959 0.0295901852 -0.0248891289 -0.1255831486 0.0605320706 -0.0805382735 0.0046293319 -0.0079594310 -0.0231740010 -0.1241301433 0.0530513570 0.0350296253 -0.0199925152 0.0180615626 0.0186572883 -0.0489049742 0.0367898443 0.0175324366 -0.0657858984 0.0327572074 -0.0647322872 0.0940329494 -0.0194158794 -0.0855134118 0.1411683733 -0.0204691046 -0.0221986294 0.1510170497 -0.0150235754 -0.0462340088 0.1077273607 0.0036149949 0.0313581045 0.1536096931 0.2077592508 0.0825443183 0.2364331362 -0.1331659102 -0.0605093102 -0.0137821548 0.0226035800 0.1492862441 0.0412696656 -0.0291449277 0.2099859800 -0.2124962189 0.0280643633 0.2944012949 0.1767941058 0.1284262703 0.1112030490 0.0535197048 -0.0441948545 0.1949022400 0.0759670450 -0.0539888866 0.1725996220 0.0435461256 0.0240231037 -0.0637462845 -0.0409365433 0.0594461092 -0.2014724158 -0.0435955050 0.1453414023 -0.1026092557 0.0651284362 -0.0603548017 -0.0862380098 -0.1164111319 -0.0370469632 -0.0903659461 0.0684359304 -0.1037643741 -0.1878931234 -0.2161253846 -0.1406385766 0.0111811215 0.0038151351 -0.0242163950 0.1135054499 0.0156995609 -0.0862567631 0.1397415809 0.0578999406 -0.0924088006 -0.0718488844 0.1446414402 0.1192493144 0.0362852388 -0.0455278552 0.0246089414 -0.0145457346 -0.0431665703 -0.0419936511 0.0017620520 -0.0740092840 -0.0424299679 0.0028305695 -0.0077563651 -0.0023225340 0.0099508564 -0.0279978645 0.0039863274 0.0072225272 0.0150012064 -0.0004896833 0.0140859806 -0.0104393307 0.0066246727 -0.0076322690 -0.0068673017 -0.0049607535 0.0048112101 -0.0021711092 0.0093072930 -0.0122268504 -0.0195302766 0.0003533675 -0.0039816144 0.0188733895 0.0001011695 -0.0014392561 -0.0243236843 -0.0429490220 -0.0172841512 -0.0023483895 0.0557747076 0.0092138022 0.0514985533 0.0047962825 -0.0362276766 -0.0222222926 0.0182503813 -0.0137531656 0.0220888975 -0.0174290963 -0.0040387220 0.0856128006 -0.0386157065 0.0197386495 0.1667620467 -0.0754863099 0.0858380637 0.0091445384 0.0090541581 0.0234666761 0.1529278111 -0.0598241459 -0.0228681854 0.0309647280 -0.0258172564 -0.0049416998 0.0918398742 -0.0543083247 0.0124954309 0.1062422584 -0.0444015030 0.1072138594 -0.1341918990 0.0350561542 0.1758032134 -0.2240579080 0.0152653241 0.0166113152 -0.1714206703 -0.0278422234 0.0298506541 -0.1496665557 0.0438773337 -0.0015711828 -0.1045765666 0.0588844599 0.1310857442 -0.2761453331 -0.0053401282 -0.1092799321 -0.0543359777 -0.0347442009 0.0161961513 0.2288135226 0.0741404719 0.0010714308 0.1226010783 0.1185950362 0.0952183441 0.2708150147 0.1080845691 0.0758440555 0.0369458562 -0.0471503681 0.3213573805 0.0024974055 -0.2268913899 0.0017901481 -0.2325315290 0.1469212406 -0.0227567729 -0.0375471272 -0.0037925914 -0.1084476866 -0.0575293594 0.0194015950 -0.0590725332 -0.0067464649 -0.0603092873 -0.0557672151 -0.0667016393 -0.0162737416 -0.0733797684 0.0367895180 -0.0457468324 -0.1205930031 -0.1264848743 -0.0749834475 -0.0048977907 0.0023788493 -0.0024926587 0.0423792367 0.0037703091 -0.0393623234 0.0582354750 0.0374046597 -0.0390081999 -0.0452516127 0.0733345054 0.0784850820 0.0311827699 0.0133593900 -0.0209071327 -0.0962961980 0.0379606623 0.0421003053 -0.1948021307 0.0781999254 0.0519274837 0.0027409793 0.0012181265 0.0026278403 -0.0137046676 0.0093344173 0.0023279744 0.0058421470 -0.0045707197 -0.0122498064 0.0042768055 0.0000072455 0.0033738976 0.0081490115 0.0018326559 0.0048652014 0.0161842135 0.0014217988 0.0117370801 -0.0031665850 0.0020428738 0.0081064974 0.0092582757 0.0080161401 -0.0060724319 -0.0004061299 0.0509252858 0.0312118105 0.0388464671 0.0340729849 -0.0662337152 -0.0204148948 -0.0367148161 0.0049530611 0.0105752891 0.0217842239 0.0065120176 -0.0509458702 -0.0630800439 0.0081785110 -0.0051824117 0.0260004158 -0.0094624963 -0.0199284843 0.0206059654 0.0015695659 -0.0244850287 0.0421409877 -0.0225088309 0.0003133673 0.0133246552 0.0049526591 0.0289969040 0.0207038004 -0.0069204816 -0.0176919837 0.0499545501 0.0179057967 0.0766460571 0.0491567592 0.0188893189 0.0093771450 -0.0078974538 -0.0085949697 -0.0586162688 0.0745928401 0.0129403850 0.0803982273 0.0380877208 0.0309496722 -0.0733555177 -0.0685066552 0.0112386083 0.0212568904 0.1645160675 0.5108247273 0.3338696210 0.0814655366 -0.3541454686 -0.1919388612 -0.1555929291 -0.0312637313 -0.0042995363 -0.0624509598 -0.0024990495 -0.0703929150 0.0976022191 -0.0242378402 -0.0905190124 -0.1422976042 -0.0933126566 -0.0303700907 -0.0255270618 0.0198736318 -0.1610862816 -0.0013418820 0.1249894131 -0.0185541269 0.0968557595 -0.0883144945 -0.0005427317 0.0096828618 -0.0043538771 0.0186276726 0.0330288938 0.0221868973 -0.0039247841 0.0197440078 -0.0157025197 0.0122019035 0.0159153672 0.0025815534 0.0142946718 -0.0264314414 0.0175284070 0.0374704446 0.0401886370 0.0273623761 0.0018511136 0.0007952228 0.0005755052 -0.0114014709 0.0007943060 0.0119212077 -0.0133362206 -0.0100528862 0.0099866302 0.0129488846 -0.0179741768 -0.0197723463 0.0625013485 0.0592966116 0.0076193236 0.1289287541 0.0551339018 0.0164655038 -0.0336145402 -0.0216719912 0.0255785515 0.0008793019 -0.0128245988 0.0038469447 -0.0394950237 -0.0316139767 0.0170402161 -0.0083446164 -0.0680982227 -0.0045770249 -0.0181617739 0.0438127976 0.0337995064 0.0430628522 0.0042553673 -0.0020188338 0.1598274723 0.0465549619 0.1353413696 -0.1010505668 -0.0819667815 0.0681952263 0.0241995345 0.0100554861 -0.0641622504 0.0915314359 -0.1330177846 -0.1472893318 -0.0632892534 -0.0658098737 0.1171674898 -0.0558191746 0.0712778644 -0.0336665596 0.0121976028 0.0002780084 0.0514683113 0.0548746296 0.1590244882 -0.0868026135 0.0034335276 -0.0111211464 0.0069364693 -0.0233360807 -0.0231786831 0.0279471039 -0.0123316398 -0.0053364311 -0.0205544865 0.0199126953 -0.0159040174 0.0255697679 0.0061334108 -0.0003479811 0.0031505480 -0.1264607277 -0.0013796062 0.0963202247 0.1231803145 0.0569286297 0.0748886373 -0.0107032950 -0.0025656053 -0.0538117168 -0.3167193999 0.2238088451 0.0903930078 0.2727774831 -0.0445283210 0.2378050994 0.0319426929 -0.0366468902 -0.1677728383 0.1115077043 0.0072653440 0.0436935783 0.1431819450 0.0895472017 -0.2906576069 -0.0146738223 -0.0757478833 -0.0029324205 0.0268222799 0.0243935003 0.0441103268 -0.0825969328 0.2251132150 0.0318968440 0.0170246703 -0.0930126694 -0.1492846156 0.0156145279 0.0036141992 -0.0086131300 0.0114577986 0.0033175977 -0.0079661240 -0.0141990081 -0.0164291643 -0.0156838357 -0.0038888409 -0.0045457352 -0.0177293219 -0.0346794452 -0.0004560552 0.0089341724 -0.0197149811 0.0142649856 -0.0474780170 -0.0127246495 -0.0146797715 -0.0015012087 -0.0225214706 -0.0112930504 0.0020823384 -0.0167752597 -0.0172858094 -0.0033591627 -0.0068510973 0.0009272249 0.0033683502 0.0045329565 0.0029004743 -0.0024008964 0.0033239703 0.0050397816 -0.0020785469 -0.0166239014 0.0160652888 0.0156377002 -0.0473741531 0.0983443576 0.0554879065 0.0329553712 -0.0517020338 0.1148059013 0.1244057186 0.1085325540 0.1122590856 -0.0023531009 0.0105399869 -0.0108373342 0.0805406780 0.0242287899 -0.0282897442 0.0153772266 0.1209798013 0.0108349516 0.0395951737 -0.0815912414 -0.0483614732 -0.0753950164 -0.0131940429 0.0024299004 -0.2412674919 -0.0870728441 -0.2042920550 0.1654666496 0.0991521731 -0.1033044123 -0.0360077531 0.0173858087 0.0991019545 -0.1503826495 0.1360121532 0.1085854761 0.0635053710 0.0882410904 -0.0605564744 0.1158141558 -0.0284606067 0.0408249278 -0.0160840687 -0.0089792348 -0.0933746034 0.0540589960 -0.0733789113 0.0851450986 -0.0050422586 0.0218012336 -0.0107561784 0.0077618395 0.0217391061 -0.0192821999 -0.0107420491 0.0332341072 0.0016475786 -0.0187508413 0.0122458320 -0.0168427595 0.0163214259 0.0117940450 -0.0060140035 0.1080632912 0.0266336927 -0.0743623574 -0.0610641257 -0.0220151602 -0.0558359087 0.0072417787 0.0037932055 0.0420967838 0.2327199196 -0.1427242217 -0.0718278045 -0.1943396967 0.0688153680 -0.1870419794 -0.0703939337 -0.0046809392 0.1433814987 -0.0583801997 0.0570135375 0.2526544382 0.0855997480 -0.0266487193 0.0250541960 -0.0986352392 -0.0122808491 -0.0216036400 -0.0141752747 -0.0465597842 -0.0333254350 0.0256793592 -0.1513540663 -0.0177304435 -0.0371165074 0.0220778376 0.0962516634 -0.0224860982 -0.0144084823 0.0131080514 -0.0765041367 -0.0015921010 0.0618205807 0.0093170178 0.0602829077 -0.0304919943 0.0020060349 0.0057705089 0.0131987227 0.0307964104 0.0136642069 0.0075234367 0.0160578009 0.0016123556 0.0293321365 0.0127108948 0.0158249665 0.0017194687 0.0207185608 -0.0013820843 0.0041861996 0.0235937062 0.0260874876 0.0122551682 0.0052866678 -0.0001570135 -0.0022307279 -0.0075108941 -0.0011674468 0.0065969330 -0.0059654914 -0.0074220568 0.0046149234 0.0160277012 -0.0173650828 -0.0176173715 0.0742029736 -0.0493623754 -0.0432179414 0.0253748368 0.0599425441 -0.0801411847 0.0387725180 0.0433305687 -0.0841785346 0.0002571189 0.0092559470 -0.0053520367 0.0740451320 0.0968265816 -0.0465331754 0.0217099693 0.0994267508 -0.0114368205 0.0414344258 -0.1281398702 -0.0840026563 -0.0636160818 -0.0129613890 0.0290521507 -0.2970840990 -0.1398757434 -0.2790697788 0.2817792932 0.1637021520 -0.1268898444 -0.0379896464 0.0255779596 0.1491644294 -0.1685251944 0.1924604666 0.1920755856 0.1076735601 0.1220163349 -0.0610048400 0.1097445904 -0.0292330341 0.0206705092 -0.0000723203 -0.0070109279 -0.1210972405 0.2060393252 0.0745747391 0.0858853048 -0.0010649207 0.0011131644 -0.0091554229 -0.0920345939 0.1623752347 0.0094395498 0.0083348249 0.0161654439 0.0535943258 0.0907622142 -0.0703481470 0.1275721376 0.0023058994 -0.0186952135 -0.0423250162 -0.3369770671 0.1122957238 0.1596325045 0.3212885706 0.0820556712 0.1856675890 0.0144070553 -0.0346277526 -0.0370790822 -0.2626802569 0.0277056302 0.1362823510 0.2710049051 0.0615098489 0.1459371493 -0.0031434996 -0.0118210398 0.0054208842 -0.0089083245 0.0118678658 0.0280570875 -0.0216471267 0.0525135156 0.0028267376 0.0057929349 0.0140746631 0.0356199138 -0.0367856308 0.0152686129 -0.0417578544 0.0446148843 -0.2153181845 -0.0051235569 0.0308415676 0.1499055503 0.1527956483 -0.0388550664 0.0141273166 0.0199452054 0.0799055450 -0.0708899637 -0.1663168939 0.0503236886 -0.1146586214 0.2238935728 -0.0264776451 0.0214585851 0.0283743092 0.1011383749 -0.0539445665 -0.1768145412 0.0733475902 -0.1097129539 0.2239580102 -0.0071580510 0.0113871946 -0.0164396073 0.0586046574 -0.1084136388 -0.0052007795 0.0555719702 0.0881318281 0.0756582202 0.0141802891 -0.0061754751 -0.0145511599 0.0045654434 0.0229592284 0.0544484371 0.0960152884 -0.0538211498 -0.0366040596 0.0190293361 0.0004832895 0.0346040025 0.0072169917 -0.0296211397 0.0276583943 0.0104392617 0.0340642384 -0.0654726853 -0.0593225555 -0.1310643931 -0.0665131581 0.0061980933 -0.0091461895 0.0031853614 -0.0035422849 0.0509690705 -0.0156574344 0.0023999172 -0.0494230362 -0.0142964707 -0.0042572038 -0.0309249658 -0.0273232457 0.0186189682 0.0025210670 0.0211105721 -0.0126958440 -0.0335891968 -0.0347398435 0.0729520974 0.0416539012 -0.0068863410 -0.0093900416 0.0060252738 0.0228485184 0.0038823200 0.0004727427 0.0289186193 -0.0132918504 0.0009266666 0.0377991301 -0.0237797850 0.0102165960 -0.0298272375 0.0089685837 -0.0029394178 -0.0057362321 0.0634817170 0.0840238830 -0.0434799389 -0.0010569330 -0.0015907717 -0.0066368240 -0.0583159534 0.1158344793 0.0010199336 0.0132996979 0.0033675958 0.0446403249 0.0615445583 -0.0469940407 0.0841941437 -0.0028419902 -0.0143019932 -0.0279211025 -0.2053135534 0.0772749929 0.0888394434 0.1898870896 0.0414425483 0.1131903254 0.0138467447 -0.0217953812 -0.0130637983 -0.1173139382 -0.0211436766 0.0775939121 0.1336241905 0.0391341795 0.0622385381 0.0025237013 0.0020446443 0.0145486022 -0.0145265146 -0.0000413283 -0.0185558471 -0.0298498804 0.0038901291 0.0393895064 0.0000459146 0.0223221621 0.0102984719 -0.0260580454 -0.0087136900 -0.0012750009 -0.0369447493 -0.0515650510 0.0181288307 -0.0409674931 0.0142021692 0.0443157456 0.0152093970 -0.0208330785 -0.0462291225 -0.0651336821 0.0947105554 0.1646923175 -0.0973201984 0.1015781873 -0.2660520134 0.0411353398 -0.0372331523 0.0082416979 -0.1548242194 0.0496645459 0.2777491699 -0.0930150837 0.1427248706 -0.2560635457 0.0536282311 0.0109510524 0.0549615448 -0.0884810932 0.3829171855 -0.0104603939 -0.1046846311 -0.2144233041 -0.2361564137 0.0043724186 0.0074889201 0.0187598736 0.0148438802 -0.0861380171 -0.1841547175 -0.2585498409 0.1469117971 0.0923764743 0.0107508495 -0.0418832350 -0.1480489071 0.0034855951 -0.0157360703 -0.0012927968 -0.0252776139 0.0206214252 -0.0107018498 -0.1155767263 -0.0530836753 -0.0042070331 0.0050601235 -0.0064605535 0.0031273919 -0.0059964586 0.0422222173 -0.0116825282 0.0037090134 -0.0364922601 -0.0149508626 -0.0028604494 -0.0253131080 -0.0221731341 0.0131063380 0.0019305333 0.0153664231 -0.0102006053 -0.0272119300 -0.0280984878 0.0515816953 0.0369720938 -0.0071179313 -0.0066890033 0.0028754146 0.0119076940 -0.0032222078 0.0024803530 0.0142688018 -0.0090648140 0.0018521027 0.0152101098 -0.0144627383 0.0046604766 -0.0188592831 0.0059397645 -0.0013697104 -0.0018446388 0.0195900311 0.0314550019 -0.0294620556 -0.0007267136 0.0032915168 -0.0104887825 -0.0602693293 0.1109105828 0.0012429456 -0.0038394020 0.0260664389 0.0382824149 0.0544273560 -0.0581719444 0.0843996004 0.0085866354 -0.0102393593 -0.0284349422 -0.1578093134 0.0824996869 0.0626501528 0.1693226903 0.0277762067 0.0951198981 0.0011147182 -0.0113341125 -0.0016350702 -0.0544112465 -0.0370491954 0.0454084684 0.0527178643 0.0684272795 -0.0026704673 -0.0225328502 -0.0034320025 0.0431346776 -0.0010722491 -0.0185922382 0.0618272431 0.0152835726 -0.0003328612 0.0131746046 -0.0199558308 0.0197442850 -0.0117611121 -0.0133832631 -0.0112658404 -0.0194192845 -0.0164456034 -0.0947020760 0.0162789223 0.0134324712 0.0376282426 0.0524898109 -0.0112701565 -0.0003245069 -0.0076093337 0.0074469025 -0.0021808140 -0.0197640693 0.0119939709 0.0002105976 0.0127911875 0.0003904945 -0.0007243025 0.0145889400 -0.0023950922 -0.0102700667 0.0009025242 0.0247776504 0.0053898187 0.0316697160 0.0099949729 0.0057664700 0.0077909173 -0.0007565306 0.0557449625 -0.0052288809 -0.0082713418 -0.0228182796 -0.0306809982 0.0042996475 -0.0001490675 0.0003183591 0.0048639433 -0.0117781265 -0.0243586392 -0.0286603004 0.0170283099 0.0097042694 0.0061617416 -0.0079274491 -0.0214944146 0.0196041869 -0.0115580254 -0.0086979093 0.0035755596 0.0094441357 -0.0020392619 0.4229365970 0.3122666805 -0.0334266253 -0.0326880864 0.0539147797 -0.0206784984 0.0227865536 -0.2581226283 0.0765179048 -0.0355759023 0.2085772550 0.1057158844 -0.0031382943 0.1968439533 0.1383940582 -0.0721294971 -0.0106180343 -0.0932197694 0.0476262515 0.1972930362 0.1755189963 -0.3175566161 -0.2281249472 0.0488893817 0.0449954818 -0.0502475686 -0.0606402240 0.0105040432 0.0536315641 0.0164346848 0.1327360895 0.0024651809 -0.1776198101 0.0820320640 -0.0418530849 0.1090451003 -0.0243386672 0.0127822076 0.0077252865 -0.0209637894 -0.1002722328 0.2082955058 -0.0002660294 0.0060939512 0.0136869324 0.0910183538 -0.1749998344 -0.0000995727 -0.0043411355 -0.0247567702 -0.0749065301 -0.0888249682 0.1014831017 -0.1368805653 -0.0002826245 0.0193500857 0.0405906669 0.2338133010 -0.1254750434 -0.0834355154 -0.2180826010 -0.0022135803 -0.1465363125 -0.0011567081 -0.0004469069 -0.0081816071 0.0359027248 0.0835598415 -0.0585191742 -0.0372523959 -0.1074613807 0.0232842752 0.0109029704 -0.0219577810 -0.0662931517 0.0359452563 0.0038257627 0.0146874745 0.0516675386 0.0174051876 -0.1096229063 -0.0055278937 -0.0255324107 0.0261876053 -0.0686164498 0.0029788489 -0.0493259170 -0.0601046722 -0.2746488703 0.0431422021 0.0794681340 0.1629823743 0.1475667087 -0.0625452103 0.0211602797 -0.0364784752 0.0902243556 -0.0665273853 -0.2450355772 0.0080262391 -0.1550764573 0.1957551704 -0.0221419869 0.0066767872 0.0639409097 -0.0155882434 -0.1011892102 -0.1124638421 0.0494585782 -0.0840314398 0.2017011914 0.0538098164 0.0271867913 0.0518487889 -0.0312768290 0.3532193241 -0.0251656236 -0.0283869303 -0.1554994127 -0.2213661439 0.0403076294 -0.0098714839 -0.0027828945 0.0765799906 -0.0908307243 -0.2004511552 -0.1810307329 0.1250369700 0.0536389549 0.0317307706 -0.0316748898 -0.1402432933 -0.0022012690 0.0050431287 0.0436211489 0.0340786596 0.0130074456 -0.0103418389 0.1286210650 -0.0217347633 -0.0243903935 -0.0008778671 0.0007327766 -0.0014977949 0.0026784371 -0.0136124876 0.0028126286 -0.0029773541 0.0031025464 0.0077397810 -0.0014569502 0.0115137303 0.0076185864 -0.0010405988 -0.0003599927 -0.0038784976 0.0055814232 0.0101638010 0.0102895136 -0.0110234109 -0.0154840088 0.0042915207 0.0004483472 -0.0006209674 -0.0006421693 0.0045703166 -0.0015335861 0.0024996058 -0.0002557759 -0.0024126874 0.0042015330 -0.0006428885 0.0006649356 0.0008347371 0.0024668828 0.0000805279 -0.0027960550 0.0315157785 0.0304449237 0.0016021495 0.0051815538 -0.0032763004 -0.0182574217 -0.0865057543 0.1330096011 0.0071713539 -0.0352321374 0.0688659729 0.0533205589 0.0670092430 -0.1277001777 0.1279425089 0.0137264554 -0.0087764995 -0.0285510114 -0.1098739854 0.1125067384 0.0240471931 0.1165181228 -0.0671882887 0.1056085834 -0.0302286146 0.0330313789 0.0275188047 0.0607031397 -0.0651879980 -0.0082151023 -0.1051983885 0.1125778662 -0.0910255427 -0.0189365877 0.0110842731 0.0595333097 -0.0081125472 -0.0248457229 0.0289196667 -0.0072507926 -0.0236325031 0.0617119895 0.0166735770 -0.0147771831 -0.0506317798 0.0310026719 -0.0263878575 0.0272608844 -0.0417067593 0.1491476950 0.0061013086 0.0529061930 -0.1269730844 -0.1552230487 -0.0179186315 0.0278321399 -0.0106747261 0.0023505499 -0.0914349449 -0.1967681855 0.0567537668 -0.0892953254 0.1694642953 -0.0289099935 0.0280722129 -0.0020901032 0.0059689674 -0.0901669541 -0.2145132350 0.0493854011 -0.0970780481 0.1667950189 0.0107809805 -0.0112734921 0.0273955991 -0.0631444346 0.1606146181 0.0010644318 0.0172918902 -0.1021810091 -0.1471733428 0.0136754051 -0.0146757603 0.0077707488 0.0993106959 -0.0580118659 -0.1549079374 -0.0990143161 0.0983978660 0.0245693901 -0.0404405191 0.0410453194 -0.0463387788 -0.0019696291 0.0258925389 -0.0503199759 0.0115218337 -0.0487569664 0.0586176638 0.2565735236 0.2304239920 0.0459876863 0.0084897973 -0.0199871646 0.0224051555 -0.0190089913 0.2363290288 -0.0602514174 0.0339815285 -0.0721453816 -0.1071951377 0.0204483031 -0.1829957436 -0.1115891816 0.0089437089 0.0019194434 0.0443834915 -0.0250634353 -0.1735537805 -0.1219423282 0.0871028163 0.2173695905 -0.0546571654 -0.0044178013 0.0073232703 -0.0575161841 -0.0307459082 -0.0376589066 -0.1327827887 -0.0803390512 -0.0189257769 -0.0233614081 -0.0127995852 0.0022698122 -0.0010189377 -0.0041902888 0.0031470301 0.0233042859 -0.1576898486 -0.1390369399 -0.0318569862 0.0024804442 -0.0026768315 -0.0090457049 -0.0421912570 0.0660925192 0.0026901590 -0.0159052109 0.0319449014 0.0278425177 0.0330245627 -0.0628633819 0.0625518293 0.0043460115 -0.0043677409 -0.0122268240 -0.0487825673 0.0551922511 0.0082840102 0.0449193356 -0.0435146723 0.0511135479 -0.0146488746 0.0184852869 0.0131390387 0.0387472728 -0.0257237882 -0.0099998483 -0.0628467839 0.0516274306 -0.0516858287 -0.0062614934 0.0067854360 0.0309876059 -0.0182721823 0.0077760652 0.0068669883 -0.0208657107 -0.0041900292 0.0461462302 0.0246287215 -0.0137105641 -0.0237628954 0.0327642037 -0.0121720705 0.0314113614 0.0064999919 0.1737646749 -0.0237000874 0.0053077911 -0.1176069020 -0.1363226323 -0.0110796571 0.0168102252 0.0032844771 -0.0308679390 -0.0769049464 -0.1245346827 0.0242242187 -0.0646036959 0.1139193818 -0.0250256016 0.0244895875 -0.0154542396 0.0092987426 -0.0612467551 -0.1748927688 0.0079050793 -0.0901334640 0.1043400661 0.0056402994 -0.0112138054 0.0207163814 -0.0648736055 0.1141757358 0.0099395246 0.0288093660 -0.0766380206 -0.1197053483 0.0110629208 -0.0134675141 0.0078326898 0.0888194570 -0.0499739178 -0.1339494841 -0.0847359433 0.0847462234 0.0213768776 -0.0389800504 0.0392833105 -0.0376247665 -0.0117081098 0.0147441253 -0.0357775753 0.0097588623 -0.0219147906 0.0138216388 -0.3238833089 -0.2000285733 0.0423071951 0.0023898390 -0.0202386422 -0.0348155759 0.0515421979 -0.3933149640 0.0836099987 -0.0290241146 0.0635575681 0.1447395114 -0.0018162068 0.1963139271 0.1569668131 0.0112358973 0.0158459345 -0.0473916936 0.0754690795 0.2197257499 0.1673183187 -0.0186562642 -0.3215304836 0.0830488818 -0.0246995225 0.0695858234 0.1157804642 0.0818682341 -0.0644704417 0.0873265387 -0.1046153445 0.0215576166 0.2196004624 0.0032919173 -0.0184847944 -0.0253038260 0.0157668628 -0.0068046382 -0.0519025564 0.0372698329 -0.0009407896 -0.0572745649 -0.0007427771 -0.0054664874 0.0006556075 -0.0016018098 0.0159026994 -0.0041037263 0.0139587030 -0.0161071968 0.0142721836 0.0088859448 -0.0018910335 0.0070534262 -0.0062389042 -0.0017856083 -0.0015958915 -0.0085349207 0.0106532753 -0.0035442135 -0.0003040607 -0.0012002382 0.0037436219 0.0063882551 0.0019028719 0.0035657622 0.0181142176 -0.0150808570 -0.0000481886 -0.0077668495 -0.0032062326 -0.0073069223 0.0035732934 0.0057058819 -0.0079307186 0.0012300926 -0.0023019449 -0.0247527068 0.0091208439 -0.0319390814 -0.0015661824 -0.0210044158 0.0013159815 -0.0023159795 -0.0377545969 0.0158596294 -0.0250300341 -0.0338769208 -0.1550161776 0.0358720831 0.0204753464 0.1054975140 0.1008093853 -0.0032972920 -0.0097295923 -0.0088962149 0.0518739827 0.0595568414 0.0645943134 -0.0290797898 0.0216156496 -0.0635481536 0.0183036243 -0.0244457409 0.0226417665 -0.0208925200 0.0350941348 0.1436282913 0.0063958673 0.0757502005 -0.0663492180 0.0008942151 0.0139924221 -0.0129749128 0.0595647940 -0.0638055494 -0.0136375416 -0.0393806506 0.0526169732 0.0911835065 -0.0041577780 0.0129948039 -0.0091897421 -0.0820769011 0.0379467859 0.1091003233 0.0600014602 -0.0703082374 -0.0135821091 0.0485950828 -0.0479689010 0.0160453835 0.0111988300 0.0010175978 0.0107165092 -0.0045397095 -0.0026283687 0.0121533910 0.4709529337 0.3017094387 -0.0254100503 0.0182946153 -0.0783021794 -0.0116538310 0.0518248321 -0.1679520103 0.0128274419 0.0201743950 -0.0365957873 0.0216734937 0.0423591937 -0.0656152301 0.0271005414 0.0304187947 0.0360343156 0.0058695486 0.0923034724 0.0089243002 0.0396687649 0.1029222760 -0.0742671882 0.0263750975 -0.0482071591 0.1257506468 0.0448951502 0.0931365739 -0.1800757488 -0.1286525983 -0.3706771150 -0.0052417121 0.2575529482 -0.0169203424 -0.0509625954 -0.0212953047 0.0168497212 0.0009538709 -0.0339235675 -0.2490224309 -0.2970662527 -0.1185038337 -0.0236440072 -0.1146688203 0.0328972982 0.0274736124 0.2253060802 -0.0858660321 0.3130258987 -0.3919574781 0.2555351097 0.1301146112 0.0645492456 0.0516992665 -0.1496409309 -0.0294324919 -0.0075782022 -0.1657869705 0.1282057179 -0.0421624468 -0.0983592533 -0.0280402870 0.0400997592 0.1339676059 0.0621730787 0.0166588179 0.2212133899 -0.0870903094 0.0006748518 0.0178518968 -0.0195906567 -0.0438179210 0.0672036063 0.1204268060 -0.0613542926 -0.2400773149 0.3329387464 -0.3156332865 -0.0793715562 -0.2171589253 0.1454341491 -0.1176681866 -0.0668012322 -0.0049628772 0.0053397652 -0.0278374110 -0.0140433324 -0.0285149293 -0.0242276768 0.0027456601 0.0147319636 -0.0294117326 -0.0197659380 0.0078830471 -0.0008540944 -0.0173125107 -0.0146009413 -0.0116648830 -0.0212928144 0.0631610780 0.0282807173 0.0051335300 -0.0206019052 0.0058930347 0.0229882670 0.0189381697 -0.0205361233 -0.0449789344 -0.0234872531 -0.0573579553 0.0685344663 0.0005413549 0.0129647498 0.0062017238 0.0241317182 0.0207713778 -0.0084129393 0.0090540780 0.0126985116 -0.0013532051 0.0134569981 -0.0074134466 -0.0122365089 0.0174397344 -0.0046692649 -0.0092524113 0.0231861600 -0.0113591359 -0.0152893973 0.0150958127 -0.0086410038 -0.0122721480 0.0214064186 0.0203812022 0.0132263025 0.0243209129 0.0156545325 0.0234878654 -0.0336280998 -0.0077461194 0.0266438371 -0.0026998827 0.0080885559 0.0010131811 0.0012712021 0.0108628323 -0.0005665981 0.0002028772 0.0270814976 0.0054835272 0.0007661023 -0.0012847191 -0.0040468362 -0.0084333655 -0.0058244566 -0.0021448971 -0.0099517616 -0.0087046786 -0.0059454263 -0.0105837926 0.0039289350 -0.0050886091 0.0091463374 -0.0037771522 -0.0050797415 -0.0083587009 0.0098503023 -0.0078047462 0.0323944402 0.0031500475 -0.0138268130 0.0064977937 0.0053607508 0.0094992422 0.0021412212 -0.0002250614 -0.0016845951 0.0558578983 0.0520686302 0.0146937941 -0.0132411681 -0.0099935534 0.0356024466 0.1130612727 -0.1344721174 -0.0154940798 0.0938527176 -0.1531288644 -0.0326211728 -0.0649324073 0.1823974075 -0.1499090649 -0.0297365363 0.0014726626 0.0124386760 0.0077828898 -0.1269739920 0.0227759914 -0.0349812750 0.1670568931 -0.1010240740 0.0473371019 -0.0248583068 -0.0447467311 -0.1208793236 0.0242459443 0.0576827776 0.1964671946 0.0126544789 0.0727923523 -0.0087931809 0.0207078225 0.0151236704 -0.0550946893 0.0781698832 0.0126461886 -0.0431829815 0.0565760224 0.0326744498 -0.0233635990 0.0166040958 0.0210106738 0.0318317267 0.0164532050 0.0185361599 0.1827355357 0.1045112651 -0.0894953076 -0.1158902107 -0.0294653025 0.0160290041 -0.0189584335 -0.0009484070 0.0926455667 -0.1045340274 -0.0789628759 0.0208430187 -0.0539396709 -0.0404174240 0.0972066224 0.0659055013 0.0618657666 -0.1222906021 0.1066458322 0.0643374929 -0.1454084872 0.1946664435 0.1045322139 -0.0366283192 -0.0051527151 -0.0996450486 -0.0185102338 -0.1919169974 -0.0384872855 0.0521655161 0.1356561347 -0.1300311386 -0.1858777315 -0.0757848873 -0.0033093939 0.0894072703 0.1487433127 -0.0451589164 -0.1935476991 -0.1884534677 0.2175179720 0.0786586310 -0.2576788846 0.2273738399 0.1015106924 0.0171656700 -0.0255412337 0.0218654053 -0.0010459552 0.0135182559 -0.0852647257 0.2253506487 0.1332401815 -0.1047909942 0.0015840447 -0.0126359629 0.0000589166 0.0087516449 -0.0052401940 -0.0036491906 0.0046822663 -0.0054617489 -0.0042726823 0.0097062808 -0.0291672582 -0.0061439588 0.0030291576 0.0066346894 0.0034984607 0.0138025265 -0.0126433474 -0.0017315077 0.0119438359 0.0103557519 -0.0003187093 -0.0058707204 0.0173959935 -0.0014480577 0.0184767198 -0.0249747216 -0.0210174382 -0.0584229379 -0.0006839896 0.0223401981 -0.0051734871 -0.0116535676 0.0002817027 0.0015882090 0.0011813177 -0.0019438835 -0.0343459415 -0.0411715106 -0.0061596347 0.0174787845 -0.0120348122 -0.0491287893 -0.1648089243 0.2381299968 0.0071871122 -0.0824302428 0.1548494217 0.0997127513 0.1239159586 -0.2715482490 0.2362036377 0.0121166125 0.0003480019 -0.0088104295 0.0032173972 0.2187424355 -0.0659138819 -0.0242499338 -0.2912962758 0.1488532226 -0.0473042010 0.0572592806 0.0604284774 0.2166756416 0.0237408755 -0.1129783023 -0.2908843390 -0.0858911576 -0.0819733435 0.0345314966 -0.0221636774 -0.0734580155 0.0532046844 -0.0443610154 -0.0727720018 0.0717718566 -0.1187253100 -0.0766221043 0.0042809367 -0.0506519117 0.0132367963 -0.0326560397 0.0420819895 -0.0200220785 0.0465702836 -0.1163412892 -0.0062267787 0.0342468608 0.1343762395 0.1038826418 -0.0431802446 0.0051198602 0.0467134104 0.0611545212 0.0082827128 -0.0033707270 -0.1301921988 -0.1040309570 0.0697561372 0.0757049813 0.0036618970 -0.0451548546 0.0093868387 0.0625981805 0.0931099226 0.1616114208 0.1834941230 -0.1027094175 0.0108816763 -0.0518321091 -0.0281302422 -0.0434226346 -0.0666829273 0.0041549378 0.0076769268 -0.0510926117 -0.0220427572 -0.0560565177 0.0232163687 0.0502734469 -0.0314560032 0.0193630852 0.0185383823 -0.0740492489 0.0598678984 0.0488918188 -0.0924457366 0.0728079035 0.0760295234 -0.0054270583 0.0102913775 0.0434332914 0.0325376029 -0.0194380721 -0.0275745627 0.1360632547 -0.0588676703 -0.0436669756 0.0170214806 0.0048020681 -0.0021898750 -0.0466325046 -0.0153502021 0.0141357085 -0.0132358735 -0.1128863566 0.0106594777 -0.0496948811 0.1030581808 0.0145475795 0.0170169116 0.0007705836 -0.0008477729 -0.0343022857 0.0797648549 0.0135873994 -0.0024481689 -0.0169042217 0.0115509530 -0.0218294495 -0.0299563099 0.0147044450 -0.0636890147 0.0734890270 0.0809765741 0.0974871464 0.0190650933 -0.0606885830 -0.0139583954 0.0215755161 -0.0219474642 0.0021658397 -0.0034638545 0.0020553674 0.0943030753 0.1183482833 -0.0304239760 0.0060954245 0.0011684753 -0.0132166974 -0.0415699918 0.0476095414 0.0063111266 -0.0331797252 0.0544812750 0.0141122568 0.0253890442 -0.0709058240 0.0564132875 0.0063249171 0.0006606865 -0.0006266786 0.0048375197 0.0448770751 -0.0124373693 -0.0074490900 -0.0769728942 0.0373678535 -0.0140299856 0.0102319450 0.0141306219 0.0420863827 -0.0016732230 -0.0224379551 -0.0642513574 -0.0344189341 -0.0059575204 0.0136697423 -0.0051421143 -0.0225920464 0.0139162716 -0.0125839797 -0.0335472466 0.0099740730 -0.0315707620 -0.0135498048 0.0011710955 -0.0062440312 0.0089711127 -0.0053792921 0.0281579906 -0.0078273850 0.0552214166 -0.0196166087 -0.0243088262 -0.0176445256 0.0552033122 0.0419415400 -0.0242823184 -0.0079384256 0.0276145693 -0.0051668632 -0.0053254465 0.0215108066 -0.0675043746 -0.0395951560 0.0184408382 0.0076530766 -0.0040690541 -0.0172264878 -0.0002664143 0.0159808812 0.0206873527 0.0126421363 0.0268199963 -0.0351357331 0.0026545710 -0.0049459689 -0.0051006087 -0.0329805642 -0.0136906487 0.0162624391 0.0113821325 -0.0024791799 -0.0072499926 -0.0023282937 0.0054287700 0.0093459244 -0.0092324192 -0.0064775509 -0.0098118080 -0.0399395542 0.0175570448 0.0215909413 -0.0000621826 -0.0035608057 -0.0138004025 -0.0057697975 -0.0019267300 0.0106211804 0.0352650588 0.0165074105 -0.0306855374 -0.2463518602 -0.2605363225 -0.0144845612 -0.0780481724 0.0323160136 0.0103259593 0.1656566145 0.1016359175 -0.0486580202 0.0334041490 0.4953924498 -0.0166095874 0.1686737129 -0.3124495289 -0.0350221118 -0.0716917043 -0.0363515745 -0.0064414723 0.1138757415 -0.2946289349 -0.0367843394 -0.0221702216 0.0028867706 -0.0359593630 0.1098657639 0.0670519999 -0.0327624441 0.2446584154 -0.2115628916 -0.1892074427 -0.1488760029 -0.0739566541 0.2313462973 0.0201233243 -0.0393569003 0.0526639787 -0.0052524292 0.0039027015 -0.0030827001 -0.0742421276 -0.1061466468 0.1092114603 -0.0036876777 -0.0189008344 0.0198264361 0.0428301445 -0.0459326541 -0.0036437511 0.0515614602 -0.0839306865 0.0078755919 -0.0126272210 0.0533923769 -0.0401249190 -0.0206751059 0.0045441036 -0.0038271995 -0.0298411011 -0.0328412715 0.0130890637 -0.0073604189 0.0617099296 -0.0282860814 0.0027838907 0.0309875372 -0.0230855862 -0.0419709882 0.0316271992 0.0073627864 0.0459809124 0.1010159025 -0.0230962737 -0.0047100291 0.0090262455 0.0424026620 -0.0488734377 0.0567939123 0.0281577365 -0.0476669814 0.0338885194 0.0728367000 0.0295811672 -0.0498321849 -0.0172803104 0.0749488919 0.0947909913 0.0346502395 0.1925112886 0.1732427036 -0.0535705526 0.1015242635 0.0497340443 -0.0550828791 -0.1044446294 -0.0059817980 0.0993116101 0.0098872335 -0.0473100560 -0.0161894535 -0.2646405487 -0.2323715796 0.1706233330 -0.0453513724 -0.0917000725 -0.0508264074 -0.2529801838 -0.0907976544 0.0902052059 -0.0237015481 0.0808535880 -0.1590515586 0.0002155712 0.0456116063 0.0073276995 -0.1594039017 0.0070072318 0.1035013046 -0.1744555381 0.0309369252 0.1179087383 0.0810942662 0.0450024979 -0.0332499155 -0.2338735247 -0.0264618952 0.0909803264 -0.1511423145 -0.0957467888 0.0984275192 0.3145464801 -0.3154816221 -0.2891911057 -0.0006785732 0.0055063454 -0.0078838602 0.0414206166 -0.0574884348 -0.0707732264 0.1518607862 0.0077126929 -0.0822822313 0.0034413298 0.0067950301 0.0002782523 -0.0135004677 0.0075871604 0.0025907696 -0.0043485574 -0.0252133020 0.0016970686 -0.0143884120 0.0308260900 0.0025962277 0.0020649523 -0.0042169465 0.0004689401 -0.0164566613 0.0168334983 -0.0000914362 -0.0019858541 -0.0031011948 0.0013748379 -0.0023807996 -0.0103986103 0.0053064698 -0.0204462626 0.0223548638 0.0209099376 0.0528114684 0.0050448709 -0.0083045193 -0.0074799859 0.0123322544 -0.0082644394 -0.0015286718 -0.0021317130 0.0023110020 0.0336898192 0.0491976608 -0.0097487248 0.0115877822 0.0168920149 -0.0343458697 -0.0858355163 0.0934155261 0.0101780999 -0.0831825063 0.1365677417 0.0090374711 0.0411873793 -0.1314523497 0.0991388137 0.0209396883 -0.0023674423 0.0089019826 0.0502676911 0.0735697789 -0.0339947094 -0.0263812272 -0.1530908950 0.0627733456 -0.0113144088 -0.0237358217 0.0310964286 0.0785194177 -0.0091406566 -0.0348421641 -0.1029554504 -0.1917028127 0.0438092159 0.0289095410 -0.0077660312 -0.0856534777 0.0718963614 -0.0717314292 -0.0967553568 0.0575704316 -0.0758141427 -0.0944448613 -0.0571613104 0.0545695812 0.0545546835 0.0701564438 0.0337080789 0.0249513129 0.1811002505 0.1505584696 -0.0713573971 -0.2119953216 -0.0329093896 0.0563686158 0.0455766901 -0.0598336926 0.0524371959 -0.1978479715 -0.0260122542 0.2291323670 0.0718122862 0.1640114147 -0.1316884265 -0.1164868921 0.0072274455 -0.0354325065 0.1052948981 0.0071779315 -0.1831535848 -0.2514205197 -0.2759789795 0.0549217625 -0.0466883682 0.0593049684 0.0336675549 -0.1820713729 0.0120865265 0.1210209126 0.1448302524 0.0985824952 -0.0499622739 0.0892229311 -0.0512253748 -0.0370495086 0.1623387208 -0.1085942034 -0.2163867547 -0.0605242979 0.0462615546 -0.0033190870 0.0604062988 -0.0457559071 -0.1796185584 0.0142396294 -0.0378867994 0.0772136500 -0.0323109258 0.0553930471 -0.0776331980 0.0875914361 0.1216839465 -0.0864807861 0.0169194320 -0.0288403442 -0.0004473583 -0.0208025459 -0.0224411809 0.0026048379 0.0046092189 -0.0986515118 -0.0108544081 -0.0148257777 0.0000399729 -0.0083359204 0.0075183257 0.0219209033 0.0012485476 -0.0055422330 0.0396926265 0.0027046694 -0.0100668099 0.0361422887 0.0007747789 -0.0241906695 0.0099956772 -0.0123580672 -0.0195777357 0.0048466671 -0.0130000628 -0.0696151032 0.0140922316 -0.0508060317 0.0128541835 -0.0114115387 0.0138412485 -0.0088284123 0.0017676122 0.0043205802 -0.0456023326 -0.0613144240 0.0193832556 0.0525456529 0.0751453567 -0.0051135595 -0.0128274094 -0.2854317512 0.1270317535 -0.2835587277 0.3442083182 -0.2381824469 -0.1223078850 -0.1211853240 -0.0312107857 0.0135012534 -0.0222334726 -0.0035800633 -0.0926764869 -0.3152236793 0.1557447494 0.0259583834 -0.0996753942 0.0587894082 -0.0565436689 -0.0209304517 -0.0165613929 -0.1638305258 -0.2591944762 0.1283963365 0.0010612411 -0.0609979549 0.0639511503 0.1092496604 0.0747832316 0.0219869866 -0.1278062077 0.1342655573 -0.3186176425 -0.1603938310 -0.1813493428 0.3041611750 -0.0948597368 -0.0824284078 -0.0176278887 -0.0023269653 0.0002730451 -0.0005979495 -0.0186194686 -0.0009200658 0.0089625335 0.0068668001 0.0006088914 -0.0027795692 -0.0046150828 0.0007922384 -0.0023892571 0.0006481647 -0.0033053245 -0.0109670796 -0.0050762041 -0.0119812506 0.0091515933 0.0048204486 0.0004531319 0.0031148500 -0.0004545968 -0.0006744652 0.0052296613 0.0145567133 0.0123938386 0.0029447781 0.0028585662 -0.0025441600 -0.0016073764 0.0103707182 0.0002217175 -0.0064639302 -0.0044125505 -0.0044703005 0.0010822703 -0.0042545934 0.0021087641 0.0021007665 -0.0054810327 0.0046257464 0.0083773686 0.0024129040 -0.0005486111 0.0001416861 -0.0043744008 0.0038986486 0.0093412369 0.0213011732 0.0166245491 -0.0016034299 0.0195620225 0.0055002292 -0.0005176060 0.0163638479 0.0539410115 -0.0010058307 0.0008818056 0.0016261408 0.0003845160 -0.0044992063 -0.0097224460 0.0050248717 0.0005700005 0.0072180913 0.0067255599 -0.0005431941 0.0020893789 -0.0001992623 -0.0002190828 0.0004637161 -0.0016409558 -0.0006729825 0.0084105269 0.0036080994 -0.0029443157 -0.0047859089 0.0014534758 0.0017487800 0.0019833530 0.0019513346 -0.0032786687 0.0056716227 0.0020936335 0.0138176434 0.0063398497 -0.0038803080 -0.0039205212 0.0016941440 0.0007443406 0.0033904089 0.0001556999 -0.0022019537 0.0716959274 0.0724342231 0.0019256040 0.0004300266 -0.0007957600 0.0029789239 0.0067238606 -0.0124404725 0.0018896505 0.0025768676 -0.0057656827 -0.0034948654 -0.0042832604 0.0065086693 -0.0068254214 -0.0006943589 0.0008238745 -0.0019922282 -0.0072999367 -0.0075806501 0.0051264838 0.0060512344 0.0137773200 -0.0042677874 0.0000259304 0.0019842467 -0.0006017853 -0.0046896925 -0.0203198416 0.0087007456 0.0043906638 0.0149860265 -0.0047630389 0.0015127900 0.0036968986 0.0039353799 -0.0029339318 -0.0015322025 -0.0096304975 0.0076938062 -0.0143281594 0.0026695416 -0.0040955279 0.0076022708 -0.0048665237 0.0032589193 0.0012143998 -0.0153837914 -0.0167143403 -0.0192555484 0.0001195253 0.0417186725 0.0230604882 -0.0019525543 -0.0295443225 0.0047694580 0.0097182264 0.0141686535 -0.0136154324 -0.0396892853 -0.0450654295 -0.0519684182 0.0493457633 0.0175725902 -0.0051177561 -0.0012187909 -0.0340974400 -0.0066425960 0.0315498059 0.0548531691 0.0584507110 -0.0136013558 0.0131087479 -0.0123226284 -0.0098278234 0.0102088513 -0.0060420972 -0.0109324569 -0.0261693740 -0.0205148570 0.0070157868 -0.0116492819 0.0163763325 0.0099817733 -0.0505429658 0.0147906261 0.0394710584 -0.0238113450 -0.0036612403 0.0207683819 0.0101345025 -0.0140364038 0.0037273977 -0.0056791199 -0.0011328249 -0.0101940413 0.0585706358 0.0243830093 -0.0058370900 -0.3780657050 -0.3385604420 0.0243280890 0.0644679504 -0.1452303243 0.0004253671 -0.0594357584 -0.0940651482 -0.0019966261 0.0281170255 -0.3985060892 -0.0642983206 -0.0300518486 -0.0800674931 -0.0389958267 -0.0133108453 0.1200002319 -0.0115754644 -0.0384072399 0.1716414307 0.0039443528 -0.1485422729 0.2209685684 -0.0130902003 -0.0676432479 0.0518257742 -0.0998957081 -0.0837247979 0.0040446854 -0.1712131122 -0.3594733228 0.0508329674 -0.2738121811 0.1220529941 -0.0396072300 0.1479579937 -0.0418061721 0.0164011526 0.0045088055 0.0458956451 -0.0649535974 0.2667715916 0.0067744750 -0.0278872021 0.0286357181 0.0512943779 -0.0864349452 0.0145898024 0.0407081938 -0.0772423938 -0.0002498344 -0.0135393515 0.0239301231 -0.0283022182 -0.0187218859 0.0212636294 -0.0227572237 -0.0612425642 -0.0182457810 0.0178919873 0.0195443181 0.0918422492 -0.0316911326 -0.0285665086 0.0617503312 -0.0244519634 -0.0441346905 0.0293243360 -0.0057005691 -0.0067457365 0.2074958724 -0.0889972993 0.0162973904 -0.0282918696 0.0567581921 0.0016739947 -0.0344723122 0.0218940394 -0.0093132834 -0.0472303553 0.0864642871 0.0515678633 -0.0782965781 -0.0395528613 -0.0422041121 0.0977428269 -0.0227697275 -0.0717001931 -0.1274707538 0.0721824725 0.0887411495 0.2212669221 0.1219876162 -0.0054652632 -0.0613095340 0.0160240055 0.1220271458 0.1324029967 0.2346688048 -0.1796025848 -0.0123577049 -0.1846278965 -0.0234066886 0.0054861968 0.0169565345 0.3319636009 0.2114948282 0.1062957456 -0.2047314693 -0.1637075237 -0.0219660345 -0.0406209349 0.0512592566 -0.0037816202 -0.0729703937 -0.0868240492 0.0655692490 0.3026917935 0.1640127829 -0.0688592123 0.0212463796 -0.0678818023 0.0061828932 0.2655746603 -0.0809786001 -0.2324431824 0.0099230178 0.1178452312 -0.0412161258 -0.1443971950 0.1545731926 0.0360968762 -0.0114824045 0.0264748545 -0.0319018364 0.0384122035 -0.0588417150 0.0223556956 0.0409362127 -0.1270447826 0.0161382538 0.0063642739 0.0004884205 0.0005490358 -0.0139582700 0.0053161870 0.0018062015 -0.0014245466 -0.0364517596 -0.0018391295 -0.0131367148 0.0244693459 0.0014506594 -0.0027979902 -0.0011206380 -0.0011952437 -0.0203869234 0.0170553633 -0.0032713433 -0.0086155347 0.0048275112 -0.0018142675 -0.0007853002 -0.0010035962 -0.0042912953 -0.0286408191 0.0070400385 -0.0247218963 0.0197036340 0.0010053091 0.0017547702 0.0071077492 0.0081273570 0.0075252678 -0.0032330831 -0.0007793255 0.0001705543 0.0095050394 0.0116156481 0.0096305871 -0.0121332427 0.0287782292 -0.0106573174 -0.0091609352 0.0254671796 -0.0125716757 -0.0209436205 0.0346339081 -0.0232087923 -0.0196859717 0.0413092411 -0.0260458262 0.0139032911 -0.0303864597 0.0095315835 0.0030206908 -0.0461186062 0.0231098300 0.0291495486 -0.0156508230 0.0130839968 0.0229862231 -0.0387780620 0.0209245921 0.0282405717 -0.0807660158 0.0310493431 0.0180542052 -0.0447228701 0.0174291380 -0.0245349307 0.0305493620 -0.0148928692 -0.0236697692 0.0438687149 0.0052783021 0.0170881939 0.0146925118 -0.0450796941 -0.0197023681 0.0402383981 -0.0084824505 -0.0340396241 -0.0588093934 -0.0873288618 -0.0116261599 -0.2606332480 -0.0252111155 0.1848150411 0.0632814010 0.0119199316 0.0453742940 0.0360096640 0.0769215327 0.2611180650 0.1235155082 0.0947578416 0.2056878642 0.1023535609 0.1585436487 -0.0054873585 -0.0119904544 -0.0639510536 0.0934475558 0.0776170145 0.0120399670 0.1076808830 0.0918975038 -0.0377298342 -0.0607291009 -0.0197489768 -0.0393551200 -0.4014410447 -0.2114258262 0.2052572865 0.0413671026 0.0673695550 0.0399682981 0.0614887549 0.0176943651 0.0240749473 -0.0548577637 -0.0989463396 -0.1180820197 -0.2717568282 0.0629272440 0.1494268946 0.1259371600 -0.1433539129 -0.2845086768 -0.0037899249 0.0152362762 -0.0399214052 0.0001320364 0.0212122939 0.1222063301 -0.0679624742 -0.1382879412 0.1266389830 0.0067967207 0.0189677892 -0.0025034222 -0.0247060336 0.0007034903 0.0087752565 -0.0080486031 -0.0258546563 0.0114373041 -0.0267213173 0.0685548183 0.0057504893 0.0000686713 -0.0186786709 0.0058239547 -0.0504886403 0.0137031840 -0.0149196011 0.0289296947 -0.0171348104 -0.0028660788 0.0018949258 -0.0087568560 0.0043199509 -0.0540710105 0.0087744859 -0.0349945264 0.0570023597 -0.0094071144 0.0375064134 0.0065003092 0.0107688290 -0.0073606696 0.0006488951 -0.0038906208 -0.0000919075 -0.1365368984 -0.1316811884 -0.0402410684 -0.0000921610 -0.0062417746 -0.0029137974 -0.0090696784 0.0213218958 -0.0037831353 0.0067837013 -0.0056342174 0.0166018275 0.0133716004 -0.0137264918 0.0157244529 -0.0018340344 0.0062707582 0.0054289936 0.0203020903 0.0297320937 -0.0168901438 -0.0261446078 -0.0247852436 0.0032892579 -0.0027077755 0.0061644426 -0.0058574902 -0.0066526373 0.0524160639 -0.0182712768 0.0057040256 -0.0085930991 0.0133392839 -0.0018299371 -0.0120657295 0.0089864640 -0.0252885980 0.0433602464 0.0426378613 -0.0430661666 0.0716242892 0.0221034401 0.0350588905 -0.0404045304 -0.0021485872 -0.0367528268 -0.0246068743 0.0055203117 -0.0181503184 -0.0382272844 0.0004525520 0.0033714638 -0.0289797953 -0.0145056881 0.0484588915 0.0310000481 0.0079770817 0.0983464093 0.0538370448 0.0155643068 0.0995933122 0.0506014257 0.0357660942 0.0012680660 0.0015937061 -0.0220939466 0.0186491470 0.0130683377 -0.0168270222 0.0002803369 0.0074456424 -0.0281879242 -0.0303666087 -0.0027082813 0.0018461408 -0.1193349174 -0.0464425604 0.0633221664 -0.0259471274 0.0125437318 0.0262019527 0.0225950860 -0.0046056649 -0.0048212905 0.0027857437 -0.0288861880 -0.0370588558 -0.0395009955 0.0010750258 0.0189553195 0.0369420468 -0.0400910583 -0.0735118049 -0.0037652979 0.0060941733 0.0005424465 -0.0613360921 -0.0250309331 0.0134049907 0.1009639592 0.2088367667 0.0060984984 -0.0317524737 -0.0611681228 0.0103546059 0.0950637601 -0.0007741147 -0.0305937736 0.0283240860 0.1274552337 -0.0407118410 0.1024322765 -0.2584109626 -0.0214064770 0.0054320513 0.0654083629 -0.0225852252 0.1986421656 -0.0541927713 0.0604341718 -0.1019348669 0.0489369794 0.0141182355 -0.0093887078 0.0124236662 -0.0036599209 0.2215853599 -0.0148397092 0.2118352094 -0.1790860943 0.0265449595 -0.1426634226 -0.0345306314 -0.0337407534 0.0067777503 0.0153641712 0.0156469743 -0.0095482907 0.5211810170 0.4941039193 0.0659504955 0.0654427172 -0.0905621813 0.0708642681 0.1098159153 -0.2793032646 0.0923191898 0.0467983242 -0.1081199063 -0.0089279953 0.0045779541 -0.1106271153 0.0218384047 -0.0409672285 0.1216667854 -0.0871614778 -0.1234917551 0.1031207362 -0.0271416304 0.0486587162 0.2743063802 -0.0995615121 -0.0844490914 0.0895411318 -0.0300359149 -0.0844328815 -0.0411844626 0.0042544234 -0.1009823340 0.2445880982 -0.1361492400 0.0738127034 -0.0967404033 0.0229436353 0.1600220732 -0.2926282189 -0.0889730410 0.1656323157 -0.3578069443 0.0178470046 -0.0275769678 0.0005207309 0.0085751157 -0.0503273839 -0.0385820479 0.0192791750 -0.0488171008 -0.0130092316 0.0101165984 -0.2278050226 -0.0396210234 0.1060300615 0.0726843488 0.0449163115 0.0058775348 -0.0017287078 -0.0007147180 -0.0244056218 0.2408414530 0.1408602136 0.0676985822 0.0024297522 0.0177664999 -0.0342068063 -0.0982418692 -0.0725116262 -0.1112349544 0.0881945150 0.0554410345 0.0161462805 -0.0182265262 -0.0319621928 0.0054665786 -0.1163429410 -0.0163788433 0.0487041473 -0.1427217651 -0.0639520155 0.0445373411 0.0178600286 0.0225408375 -0.0074876625 -0.0985449681 -0.0026364720 0.0422756409 -0.0555788057 -0.0417152226 0.0409835305 0.0965014637 -0.1036650715 -0.1036033387 0.0055070366 -0.0105690166 0.0356956325 0.0023059815 0.0428722820 -0.0162471514 -0.0579190520 -0.0084045463 -0.0134894872 0.0012066653 0.0082991631 -0.0017422837 -0.0062365991 -0.0053212432 0.0044888480 -0.0033622526 0.0019926557 0.0082721224 -0.0066158154 0.0255740323 0.0052731694 0.0026214309 -0.0080952600 0.0027411946 -0.0133334790 0.0012118964 -0.0045672115 0.0221078856 -0.0164001661 0.0003407479 0.0001561932 -0.0010111310 0.0011310439 -0.0232959658 0.0008185461 -0.0215688216 0.0101539593 -0.0016180152 0.0089621914 0.0041281436 0.0015244373 -0.0038389720 -0.0034617598 -0.0017565455 0.0036660885 -0.0675565054 -0.0613146299 -0.0031486250 0.0730762980 -0.0613825841 0.0394881965 0.0570538692 -0.2126306410 0.0916169948 -0.0072493487 -0.0018995522 -0.0174999356 0.0245946982 -0.1674234495 0.0633682016 -0.0172657387 0.1171239545 -0.0651005198 -0.0178117870 0.1843378088 -0.0853698738 0.0396871594 0.2425325633 -0.0919020968 -0.0229371848 -0.0576236831 0.0313331154 -0.0363302864 -0.2372646960 0.0910785899 -0.0693288288 -0.1651921736 0.0529501746 -0.0206313976 0.0125425182 -0.0305984593 0.0286384396 -0.0498744450 -0.0244994133 0.0819423601 -0.0948102087 -0.0886084225 -0.0541267047 0.0911859311 0.0194140060 0.1177614393 -0.0056278837 -0.0781423774 0.1517253262 -0.0428705125 -0.0836797264 0.4203610324 -0.0092759611 -0.2318995714 -0.0961547474 -0.0645657696 0.0092718590 -0.0325263848 -0.0345942967 0.0245098509 -0.1558729291 -0.1076208018 -0.0072918980 -0.0318575542 -0.0409103195 0.0385649561 0.0496343463 0.0286000033 0.0992861530 -0.0215248074 -0.0225905716 0.0339067046 0.0578882207 0.0145241991 -0.0541333569 0.1308420512 -0.0323029495 -0.0733335007 0.2311968102 0.0704947450 -0.0866326687 -0.0274903800 0.0198040842 0.0413156823 -0.0085265949 0.0094624205 -0.0013610356 -0.0783279798 0.0739259169 0.0486009674 -0.0585341634 0.0575805131 0.0351774383 0.0048540111 -0.0044751117 -0.0148442788 -0.0426538573 0.0224352260 0.0859610041 0.0151098587 0.0096342861 0.0867702028 -0.0277286526 -0.0143091581 -0.0021404610 0.0626080098 -0.0415637167 -0.0064466413 0.0071761142 0.1345709275 -0.0010449129 0.0596154211 -0.1143712554 0.0017397263 0.0258512044 0.0248982854 0.0008327770 0.1072156765 -0.0383602750 0.0261000671 0.0267556147 -0.0125876178 0.0148989141 -0.0183640674 -0.0223614660 0.0098721699 0.0738293161 0.0227266865 0.1567734598 -0.0635388108 0.0199661532 -0.1404485742 -0.0125691632 0.0011922834 -0.0220705744 -0.0016678241 0.0047945017 0.0071853742 0.0883896769 0.0866651439 -0.0493991950 0.0707055945 -0.0713291923 -0.0059639449 -0.0437070532 -0.0362250115 0.0643027684 -0.0202116181 0.0505495159 0.0624534875 0.1064313758 -0.2754531017 0.1705356102 -0.0217274118 0.1307427462 0.0010875612 0.1669558148 0.2891087099 -0.1802235245 -0.1526479148 0.0415609470 -0.0609052793 -0.0063265894 -0.0878512453 -0.0199593386 -0.1182259328 0.0767807379 0.0090761724 0.0248028085 -0.4332728708 0.2272711957 -0.0171205419 0.0305712434 0.0383658880 -0.1126047907 0.1663373028 0.0593855039 -0.2755197943 0.3815821561 0.1507725488 0.0135423688 -0.0498166275 -0.0153710160 -0.0361132593 -0.0009780387 0.0221333770 -0.0814417646 0.0145956076 0.0412422352 -0.0690962481 0.0003875707 0.0385412943 0.0206073391 0.0231800986 -0.0064362359 0.0574907908 0.0332014622 -0.0116500064 0.0133216233 0.0030525490 0.0069235214 0.0164793563 0.0094986140 -0.0059179468 0.0278826622 0.0248061651 0.0088490170 0.0055176238 0.0137332484 -0.0188679378 -0.0277971236 0.0005561202 0.0141996656 -0.0651413678 -0.0130508771 0.0385260308 -0.0527441643 0.0004382181 0.0334882831 0.0135057745 -0.0127087194 -0.0111659622 0.0254385039 -0.0154750117 -0.0256636122 0.0168329452 -0.0106511796 -0.0137762566 0.0104276871 -0.0097453571 -0.0171490040 0.0024499935 0.0050400144 -0.0215797899 0.0160791877 -0.0087827322 -0.0298958549 -0.0503985488 0.0639458200 -0.0226770799 0.0164059281 0.0122985539 -0.0038640833 -0.0364664073 0.0005760013 0.0081874729 -0.0089320049 -0.0744168365 0.0129873007 -0.0358726482 0.0855296221 0.0061165840 -0.0138125328 -0.0174696586 0.0075127272 -0.0837762796 0.0220165252 -0.0256553105 0.0150360690 0.0026920067 -0.0081691757 0.0122200136 0.0129431529 -0.0099456410 -0.0637984636 -0.0113693762 -0.1173865691 0.0334184903 -0.0139478134 0.0807039675 0.0066830294 -0.0017520814 0.0137791506 0.0021659457 -0.0018229014 -0.0040759014 -0.0603026521 -0.0604502389 0.0261690175 -0.0073893910 0.0034867456 -0.0054060113 -0.0088536248 0.0304213883 -0.0114477794 0.0040876708 -0.0028328191 0.0085099251 0.0037483863 0.0117182382 -0.0002311625 0.0035963269 -0.0081974353 0.0086114810 0.0152411295 -0.0049884736 -0.0005098797 -0.0096150592 -0.0235545788 0.0060456391 0.0006096542 0.0023092783 -0.0060916017 -0.0044942942 0.0397962337 -0.0123851267 0.0044147451 -0.0019019090 -0.0000924508 0.0043892508 0.0005683650 0.0063355863 0.0023188039 -0.0041248511 -0.0027449396 -0.0255143515 0.0255050818 0.0239279054 0.0025894215 -0.0080102302 -0.0023425858 -0.0046384027 0.0011043769 0.0076302514 -0.0489247389 0.0155331420 0.0255758273 -0.0142332667 0.0018868118 0.0120674219 0.0031701097 0.0045484961 -0.0025109735 0.0117343243 0.0068349119 -0.0036718151 0.0011912369 0.0005466653 0.0001460585 0.0048936727 0.0032142297 0.0003784089 0.0120340831 0.0101694678 0.0060698277 0.0100583923 0.0086471399 0.0013826452 -0.0084883537 -0.0009139531 0.0023920244 -0.0241556154 -0.0088601521 0.0133466158 -0.0137154984 0.0014025148 0.0107984097 0.0047575774 -0.0024900771 -0.0020547520 0.0043736285 -0.0058717013 -0.0084286791 -0.0015609200 -0.0013805873 0.0000570747 0.0055983109 -0.0056414048 -0.0102452311 0.0001603824 -0.0008684603 0.0026832405 0.0137678081 -0.0001468539 -0.0123323846 -0.0298403705 -0.0048929562 -0.0088170319 -0.0477382670 0.0307362570 -0.0711652684 0.1371586178 -0.3230558170 0.0236777493 -0.0439295386 0.3293415485 0.1611486726 0.0880454056 0.1028483894 0.1393727105 0.0890613638 -0.0135461626 0.0993808008 0.0092002148 -0.1526382206 -0.0792148651 0.5299458043 -0.1929211375 0.0434997899 -0.0528102651 -0.0278248898 -0.0646678088 -0.2221047241 0.0590558087 -0.1535986123 -0.2818006988 0.0311986981 -0.3743819535 0.0078560308 0.0028090098 0.0082878863 -0.0193358158 0.0107140803 0.0311393743 0.0316711538 0.0485846270 0.0528868179 0.0282788874 0.0033952968 0.0164851071 0.0264529287 -0.1241739104 0.0500807966 -0.0398819596 0.0454961207 -0.0563809357 -0.0323209152 -0.0428422138 -0.0100776331 -0.0244001108 0.0080229624 -0.0312241243 -0.0910435906 -0.0368220400 0.0294454527 0.0403084524 0.0577851701 -0.0028298983 0.0237144985 -0.0098913943 0.0360925009 0.0569518766 -0.2023673975 0.0683622756 -0.0329410464 -0.0074311852 -0.0214614727 -0.0418736548 0.0161001315 -0.0382605178 -0.0468720040 0.0793279097 0.0408371524 0.1406050485 -0.1268582721 -0.1464302107 0.0009405121 0.0537846010 0.0133875951 0.0063157535 -0.0225282738 -0.0037731826 0.0781856228 -0.0019193620 -0.0512860099 0.0936281258 -0.0372840999 -0.0754547873 -0.0510914872 0.0208337103 -0.0115131699 -0.0476302119 -0.0620354281 -0.1393198625 -0.2133258553 -0.1587175307 0.0075551866 0.1323523832 0.0623555739 -0.0232306863 0.1402008328 0.1589281922 0.1183909737 0.0803358738 0.1074173897 -0.1028048119 -0.1313885379 0.0290984289 0.1426770029 -0.1996044401 0.0974525962 0.1543317102 -0.4162861673 -0.0575569733 0.2064118021 0.0442899689 -0.1014238687 -0.0929158217 0.2201244706 -0.0350490440 -0.0962118109 0.2885229966 -0.1098439345 -0.1963341782 -0.0174008905 0.0294549964 0.0927834077 -0.0025977962 -0.0036273029 -0.0024209670 0.0101894308 -0.0045573841 0.0065677923 0.0773950987 -0.1278015510 -0.0039851855 -0.0096147095 -0.0098463624 0.0001616319 0.0206960173 -0.0191274930 -0.0016273695 0.0035941793 0.0380457443 -0.0060767571 0.0202749318 -0.0502760561 -0.0037692854 0.0045136240 0.0154602740 -0.0010429690 0.0213965824 0.0081540594 0.0087094048 -0.0108231478 0.0146710144 0.0035821081 -0.0012918569 -0.0142076397 0.0071589091 0.0277308712 0.0100191579 0.0633777172 0.0032570033 0.0041886611 -0.0437732676 0.0005363202 0.0082205742 -0.0089407777 -0.0011439086 -0.0012858897 0.0023531818 -0.0305940310 -0.0255508108 -0.0234366756 0.0749474914 0.0138814620 0.0104121043 -0.0094914602 -0.2314832069 0.1274834386 -0.1394763193 0.1866285825 -0.1181694415 -0.0527974849 -0.1928205120 0.0344421120 -0.1042770498 0.0050700153 -0.0301751874 -0.1833013185 -0.1431424440 0.0684112097 -0.0692292345 -0.0602660387 0.0478168525 0.0927423747 0.0140591403 0.0334862198 0.1128604497 -0.2172751539 0.0846378929 0.0107515364 -0.0318752278 -0.0157840546 -0.0913090364 0.0012350827 -0.0285769386 -0.2100979330 0.3231007076 0.2073709956 0.1847784228 -0.0920399021 -0.2191990545 0.0904129622 0.0169127869 -0.0018393432 -0.0530564165 0.0171229359 0.0197692940 0.0548737510 -0.0328099786 -0.0177134667 -0.1925994426 0.0521204605 0.1514784282 0.0570835543 0.0195380376 0.0464119088 0.0452504111 0.0381779069 0.0807494204 0.0880730179 0.0690893807 0.0304644816 -0.0498714726 -0.0255791634 -0.0456712796 -0.1819578444 -0.1352072424 -0.1315264222 -0.1460765719 -0.1057545166 -0.0759397759 0.0556805684 0.0116188765 -0.0066543192 0.1347710705 0.0822493081 -0.0752460573 0.0797420400 -0.0196867760 -0.0844775690 -0.0302759259 0.0128849926 0.0034911721 -0.0281962169 0.0443422357 0.0644551891 0.0340330285 -0.0059682022 -0.0165627428 -0.0306691726 0.0280653901 0.0638386560 -0.0169009480 0.0050624397 -0.0156631822 0.0081161396 -0.0418624274 0.0057962085 0.1418402047 -0.1700885331 -0.0139857557 -0.0071455297 -0.0171430709 -0.0155252904 0.0265298356 -0.0944985090 0.0047957953 -0.0073044669 0.0257373395 0.0222959550 0.0208335147 -0.0116707371 0.0215330560 -0.0101900063 0.0249961863 0.0221225478 -0.0790370476 0.0417549580 -0.0275262142 0.0404359264 0.0387052641 0.0032519899 0.0209362166 -0.0139884951 -0.0076364523 0.0019069377 0.0043328161 -0.0102975547 0.0161643852 -0.0095227727 -0.0223061890 -0.0049264984 0.0100506420 -0.0034274238 0.0032516441 -0.0020727465 0.0018473936 -0.0278410837 -0.0086607301 0.0113615487 0.0301385529 0.0059162926 -0.0002218519 -0.0144336358 -0.0804638564 0.0505929163 -0.0594498406 0.0821106602 -0.0430508861 -0.0168511369 -0.0885470381 0.0220420531 -0.0488705470 0.0001208745 -0.0053813546 -0.0702416420 -0.0674626402 0.0286458718 -0.0536336940 -0.0522570195 0.0255795827 0.0408976131 0.0131232727 0.0003990465 0.0402276470 -0.0176255523 0.0095176198 0.0274876579 -0.0053001640 -0.0003940074 -0.0258445718 -0.0100155105 -0.0026397265 -0.0576271763 0.0823752016 0.0707953610 0.0602234138 -0.0240287598 -0.0664972866 0.0285782416 0.0114562832 0.0002200205 0.0052882658 0.0048337106 0.0097222519 -0.0659800569 0.0313435149 0.0365233767 -0.0001565809 -0.0068979320 -0.0085146931 -0.0022748850 -0.0036967968 -0.0160799852 -0.0077919765 -0.0007375825 -0.0090221026 -0.0001546390 0.0041656862 -0.0212165399 0.0009337080 0.0050863139 0.0165192687 0.0378513473 0.0215085549 0.0182339981 0.0320575289 0.0164925760 0.0371803638 -0.0060000728 -0.0094684585 -0.0119142576 -0.0240056678 -0.0361099918 0.0074495443 0.0107194546 0.0076303855 0.0068708968 0.0064999935 0.0075782377 0.0073069977 -0.0190544853 -0.0102941869 -0.0078865520 -0.0407279875 0.0093978191 0.0263839714 0.0169697553 -0.0167915439 -0.0341527407 -0.0047870904 -0.0066821511 0.0060706477 0.0003874272 -0.0028298989 -0.0188356714 -0.0586566139 -0.0000361552 -0.0121584355 0.0290481533 0.1152143466 0.0726690282 -0.1166538700 0.4523970004 -0.0183357956 0.0354035296 -0.0745931643 -0.1142510167 -0.1039474775 0.1048074904 -0.0902184520 0.0989415784 -0.1509493045 -0.1000363863 0.4960469562 -0.3155952577 0.1362025844 -0.0826062213 -0.2767717018 -0.0048442232 -0.1693705582 0.0579147620 0.0007058717 -0.1096794513 0.0089648513 0.0177216520 -0.2214836983 0.0577344028 -0.0355602498 0.0514697700 -0.0285821003 0.0666793238 -0.0085118583 0.0076061866 -0.0230094908 0.1030508303 -0.0070420258 0.0136247576 -0.0395934281 -0.0103281392 0.0079882804 0.0382377955 0.0887360792 -0.0675522756 0.0887841324 -0.1260154809 0.0525443173 0.0182357681 0.1347842137 -0.0407014421 0.0788531961 0.0075131731 -0.0056849928 0.0936902689 0.1243834070 -0.0486029695 0.1171907504 0.1289455308 -0.0511359897 -0.0635135577 -0.0411660423 0.0191068258 -0.0474047882 -0.0474163510 0.0112849237 -0.0572771834 -0.0212502395 0.0116722645 0.0225570530 0.0349557565 -0.0061046465 0.0731478494 -0.0974597528 -0.1033217615 -0.0923850939 0.0588827183 0.0769266789 -0.0433593587 -0.0112418775 -0.0078387018 -0.0438768462 -0.0239764102 -0.0311528268 0.2132913811 -0.1311832189 -0.1244711500 -0.0240782348 0.0429373153 0.0805777854 0.0331317405 0.0409209545 0.1159627427 0.1103354884 0.0392801211 0.0757618425 0.0184938240 -0.0130496052 0.1541384749 -0.0187919126 -0.0417955935 -0.1144497065 -0.2780834029 -0.1619301510 -0.1340880338 -0.2494423722 -0.1339781024 -0.2603098953 0.0499858979 0.0604720964 0.0640496744 0.1665738437 0.2243158975 -0.0586124482 -0.0260552341 -0.0414201520 -0.0667971249 -0.0459077600 -0.0410481524 -0.0401278555 0.1059568966 0.0698008241 0.0587321263 0.2403621432 -0.0518109779 -0.1554240215 -0.1096777716 0.1076565086 0.2144860716 0.0040457543 0.0146600362 -0.0228207690 0.0203363141 0.0000855561 0.0588164981 0.1123395749 -0.1728050193 0.0434328444 0.0074209585 0.0274779832 0.0136985999 -0.0291003643 0.0885102512 -0.0008002023 0.0059131999 -0.0139301783 -0.0169174225 -0.0241258206 0.0335560683 -0.0168023122 0.0233081775 -0.0354109539 -0.0182650602 0.1021336158 -0.0718348724 0.0258344024 0.0008194530 -0.0699208640 0.0005240659 -0.0403195675 0.0138073086 -0.0034027671 -0.0249250596 0.0024863596 0.0041566395 -0.0557278510 0.0157464885 -0.0203198024 0.0096616034 -0.0070597855 0.0143504957 -0.0012684474 0.0025567554 -0.0050279338 0.0653206124 0.0397732747 0.0006423196 -0.0191793701 -0.0039868259 0.0067225603 0.0277814147 0.0347783773 -0.0332152432 0.0462389377 -0.0656163194 0.0218794636 0.0063063125 0.0757063268 -0.0266910162 0.0491977642 0.0050072502 -0.0088759681 0.0540399580 0.0805420143 -0.0324853587 0.0918581120 0.1036021462 -0.0347523883 -0.0292876568 -0.0418781177 0.0331566754 -0.0104951140 -0.1376629994 0.0478666225 -0.0496054544 -0.0631110267 0.0249835320 -0.0164736795 0.0547131321 -0.0130173997 -0.0146293849 0.0414491852 -0.0296378688 -0.0738963777 0.0791750217 0.0258763178 -0.0062569924 -0.0221738578 -0.0177417641 -0.0162823429 0.0671902259 0.0143030078 -0.0762668700 0.0085123303 0.0656127158 -0.2686325022 0.1045295747 0.2017983643 0.0251116367 -0.0407997545 -0.0232667900 -0.1823330845 -0.0666524648 0.0431075504 0.0711469690 0.1045882333 -0.1156820732 -0.0096517980 0.0476284394 0.0181384633 0.0240698359 -0.0110586167 -0.0953968391 0.1022789076 0.0250114398 0.1385913589 -0.0013518039 -0.0453059586 -0.0017510741 -0.0318297011 -0.0117461919 0.0008215804 -0.0732623825 -0.0693476439 0.0113017169 0.0088064817 0.0305620509 0.0007165990 -0.0983777876 0.0084311682 0.0487058400 -0.0546592686 -0.0298321590 0.0441041118 0.0733007616 -0.0709646862 -0.0647798892 -0.0026231850 0.0155699932 -0.0266118892 0.0579421395 -0.0510842664 0.0016087023 0.1340056401 -0.2982748250 -0.0177347455 -0.0484253115 -0.0339562347 0.0221404052 0.0988228780 0.0391115352 -0.0254652135 0.0284065015 0.1839408112 -0.0637989719 0.0891631713 -0.2575307200 -0.0327107114 0.0501836820 0.0560646026 -0.0406853019 0.2395689010 0.0013551661 0.0891287097 -0.1025522522 0.0110624505 0.0186498873 -0.0460980251 -0.0678435547 0.0452726587 0.0500718785 0.0687449775 0.2977588644 0.0384985560 0.0414290875 -0.2221218432 0.0316346622 0.0631437976 -0.0248580823 -0.0141128351 -0.0111518267 0.0064887933 -0.2290554343 -0.2060527551 -0.1075933781 -0.0240324351 0.0033440684 0.0415961806 0.1053355191 -0.0585376863 -0.0278645871 0.0672336996 -0.1175856742 -0.0262037746 -0.0470934419 0.1715392372 -0.1026268240 0.0746475842 -0.0031510958 -0.0619681872 -0.0425038528 0.1113468887 -0.0080814908 0.2523437498 0.2228532157 -0.0464689397 -0.0508951329 -0.0501425866 0.1017091402 0.0718010005 -0.3463206740 0.1039836476 -0.1669818177 0.0134741610 -0.0502802549 -0.0412453652 0.0628145865 -0.0703722797 -0.0338668459 0.0969890792 -0.0218476448 0.0000057798 0.0427638360 -0.0978544958 0.0394410747 -0.0299163586 -0.0014814754 -0.0012589921 0.0447339362 0.0090044851 0.0035915788 0.0133743356 0.0157082181 -0.0911514774 0.0460422348 0.0617308216 0.0117940546 -0.0375455838 -0.0316263544 -0.1574860760 -0.0616393787 0.0181342689 0.0266404736 0.0565269070 -0.1070438186 -0.0040448095 0.0401948632 0.0287803034 0.0689028517 0.0211014059 -0.0472996387 0.0806102773 0.0200051608 0.1219661763 -0.0066000891 -0.0413543417 -0.0074946737 -0.0278676970 -0.0316576860 -0.0000905390 -0.0468984380 -0.0479958816 0.0131833004 0.0113162673 0.0271721114 0.0046162128 -0.0829979430 -0.0007403571 0.0297377127 -0.0640480826 -0.0178500570 0.0484407945 0.0649052978 -0.0609253769 -0.0653618544 -0.0080351598 0.0068444471 0.0095805104 -0.0185739521 -0.0465283548 -0.0039022901 0.0944687882 -0.0386212485 -0.0150325184 0.0428101553 0.0361436375 -0.0149460828 -0.0946424488 -0.0239302349 0.0264470890 -0.0195832958 -0.1520298009 0.0453507098 -0.0809917713 0.2179522019 0.0174172705 -0.0372994068 -0.0543963563 0.0304450690 -0.1724954474 -0.0224671112 -0.0678471302 0.0863596618 -0.0255346586 -0.0146150737 0.0307907102 0.0620931722 -0.0401057815 -0.0339817685 -0.0584559577 -0.2412098866 -0.0541067320 -0.0269517120 0.1689997746 -0.0313105684 -0.0555502926 0.0256750147 0.0112089138 0.0112865689 -0.0064134147 0.2972439108 0.2706641376 0.1001383324 -0.0170912560 0.0047069519 0.0262452673 0.0670018654 -0.0365466915 -0.0186240739 0.0409552230 -0.0732240552 -0.0192560874 -0.0330088779 0.1134390192 -0.0682906422 0.0471185006 -0.0075480178 -0.0399070601 -0.0355794906 0.0562644692 0.0026409862 0.1641443291 0.1307033354 -0.0230054916 -0.0300299819 -0.0244320129 0.0674166983 0.0564110957 -0.2395533914 0.0698224693 -0.1124886432 -0.0037984376 -0.0269264071 -0.0272850406 0.0450543348 -0.0560569163 -0.0242848304 0.0657782856 -0.0293927073 0.0184841694 0.0007958759 -0.0823906867 0.0104852825 -0.0065435999 -0.0005651237 -0.0439653518 -0.0753164378 0.0987169828 -0.2516539618 0.1598990017 0.1231789432 0.0148744522 -0.1735881564 -0.1095920526 0.0043939411 0.1135389252 -0.0246522605 0.3993326859 0.1930958405 -0.1084877967 -0.0815685934 -0.1422354360 0.1404597687 0.0011528290 -0.0835639678 0.0221245810 -0.0036295104 0.0248960017 0.1900507621 -0.1279538698 -0.0200011783 -0.1436737932 -0.0114287635 0.0549196344 -0.0579633139 0.0042649658 -0.1188611030 -0.0002940140 0.2201187956 0.1779149093 -0.0148464234 0.0048344052 -0.0239063470 0.0337720835 0.1012242232 -0.0540858056 -0.1176322390 -0.0652590586 0.1032454940 0.0274155592 -0.0793454533 0.0734834782 -0.0156552656 0.0014831164 -0.0183119884 0.0576747490 0.0513584591 0.0004129162 -0.1233082958 -0.1240800608 0.1698680654 -0.1043473532 -0.0150547803 -0.0107145895 0.0081756236 0.0286616529 0.0093624278 -0.0056546776 0.0100968775 0.0543892544 -0.0251088271 0.0244922883 -0.0825602554 -0.0143105005 0.0141277865 0.0189825749 -0.0141832389 0.0608709557 0.0183785568 0.0274820003 -0.0398686638 0.0107413859 0.0038192034 -0.0078975987 -0.0217863070 0.0171617119 -0.0123710471 0.0213404959 0.0571245524 0.0328805840 0.0074853415 -0.0433329619 0.0121873644 0.0217790051 -0.0067526584 -0.0034490081 -0.0064439553 0.0016368785 -0.1370524970 -0.1202085081 -0.0198174700 -0.0058077315 -0.0141290738 -0.0291420941 -0.0546977427 0.0966675503 -0.0235972089 0.0076118439 0.0079233931 0.0622788000 0.0604904400 -0.0462128731 0.0578144414 0.0071086140 0.0202654979 0.0426811330 0.0998655571 -0.0455555382 -0.0061239899 -0.0906759935 -0.0098408444 -0.0272950412 -0.0050931966 -0.0115524546 -0.0533637970 -0.1087620305 0.0236962854 0.0096793755 0.0770315574 -0.0533114372 0.0494386491 0.0068188382 0.0138629043 0.0239269088 0.0346030869 -0.0697655744 -0.0393763085 0.1255415751 -0.2247294420 -0.0096144109 -0.0690562639 0.0888673762 0.0296852386 -0.0201695033 -0.0168182911 0.0818901603 0.0850837709 0.0981106090 -0.0164415371 -0.1646334858 -0.0951231693 0.0270526968 0.0177833263 0.0537136797 -0.0494344941 -0.0127561936 -0.0072215460 -0.1244591235 -0.0692753399 -0.0781244116 -0.0046696440 0.0106195594 -0.0300547286 0.0470085897 -0.0226818368 -0.0156447203 0.0886503549 -0.0318774259 0.0075887327 -0.0210610462 -0.0264304249 0.0190103638 -0.0476442816 0.0373721260 -0.1132739782 -0.0296247230 0.0603443037 0.1061301544 0.0452898412 0.0182922039 -0.0085828724 0.0314436215 0.0395951271 -0.0571739338 -0.0908035065 -0.0867106973 0.0753698479 0.0516911829 -0.0232910373 0.0220434669 -0.0619530559 0.0067338442 0.0071736638 -0.0556020420 0.0179245042 -0.0486965761 0.0090229790 0.4826704411 -0.5896324140 -0.0560934891 0.0169039384 0.0119302356 -0.0057769383 -0.0399817592 -0.0087592028 0.0101862956 -0.0072418528 -0.0560195976 0.0201074965 -0.0259778844 0.0675829355 -0.0013557516 -0.0185289891 -0.0196154573 0.0099064934 -0.0385876484 -0.0351716145 -0.0197209276 0.0140217905 -0.0015355475 -0.0057318274 0.0109468145 0.0204020063 -0.0078231613 0.0701758212 -0.0288850931 0.0014151317 -0.0583388829 0.0024799771 0.0033878686 -0.0125565189 -0.0207519904 -0.0020109864 -0.0004764265 0.0057277190 0.0017066329 0.1519360137 0.1348162605 0.0093443722 0.0068605512 0.0089989123 0.0155985265 0.0264017722 -0.0569166662 0.0184411041 -0.0101530527 0.0050237764 -0.0391157695 -0.0358766794 0.0134909061 -0.0286365853 -0.0111446444 -0.0120511369 -0.0212766856 -0.0540379809 0.0417196499 -0.0056521671 0.0328591159 -0.0133881605 0.0197553973 0.0092819177 0.0023337560 0.0214632108 0.0608276108 0.0464110289 -0.0270690860 -0.0212557599 0.0219214210 -0.0194399847 0.0016676871 -0.0080682147 -0.0053624709 0.0206096712 -0.0207992550 0.0109953037 -0.0867868055 0.1382753227 0.0269847426 0.0156483724 -0.0344950359 -0.0054695552 0.0346198560 0.0312176070 -0.0380196370 0.0692963956 -0.0287362183 -0.0348022901 -0.2364098419 0.0536186523 0.1384922702 -0.0152901602 -0.0036036741 -0.0149257938 -0.3158329149 -0.1941485078 -0.1392650334 0.2530494228 0.1380180706 0.0920142151 0.0351715578 -0.0804841496 0.0221214916 -0.3535639838 -0.2018258021 0.0867894973 0.2603107172 0.2295411135 -0.0048025523 -0.0228777254 0.1111686817 -0.0559885781 0.0258795855 -0.1143179312 0.0048686158 -0.0792429229 0.2147564165 0.1778442982 0.0065278947 -0.0747056582 0.0487841319 0.2280862881 -0.0984875853 -0.2013282893 -0.0103818213 0.1793709834 -0.0132421085 -0.1575491946 0.1201625471 -0.0345067343 -0.0030313216 0.0061521079 -0.0040256022 -0.0184405650 0.0075089428 0.0325479285 -0.0653807463 0.0449288245 0.0398918275 -0.0004895189 -0.0011015491 -0.0004751354 0.0030899153 0.0021338363 -0.0020907929 -0.0003366800 0.0014627648 0.0012264657 0.0017701572 0.0011624990 0.0040601807 0.0005044102 0.0010678573 0.0002868923 0.0027111038 -0.0025583118 -0.0003029148 0.0026212066 -0.0025158691 0.0009427901 -0.0021146164 -0.0009618464 -0.0012388073 0.0027011712 0.0014891144 0.0076536758 -0.0006325943 0.0005029874 -0.0046895786 0.0018735712 0.0023318387 0.0010741068 -0.0001405453 -0.0002243817 -0.0002869183 -0.0101219526 -0.0089860671 0.0039088067 0.0370361628 0.0383597097 0.0518275976 0.0786719991 -0.2191823371 0.0854713241 -0.0564085983 0.0510044679 -0.1573245317 -0.1377173143 0.0028025707 -0.0906555148 -0.0642537668 -0.0499301710 -0.0708285190 -0.1986297742 0.1648867070 -0.0372583027 0.0850429979 -0.0686963853 0.0779753304 0.0619483926 -0.0041156064 0.0597049955 0.2391274254 0.2920135260 -0.1466487192 -0.0131624467 0.0220527761 -0.0327517347 0.0009602445 -0.0018862118 -0.0151012523 0.2596415863 -0.3707250041 -0.0713625289 -0.2631311296 0.4432584653 0.0730783621 -0.0649511038 0.0027709304 0.0042436612 -0.0127971996 -0.0171989550 0.0205169925 0.0871067492 0.0111803284 -0.0418670889 -0.0363244671 -0.0376924588 -0.0003551981 0.0112146843 0.0231656518 -0.0080655820 0.0417089238 0.0252407033 -0.0221695754 -0.1244892656 -0.0831507584 -0.0302338892 -0.0003757294 0.0135348154 0.0112280709 0.0734126211 0.0382034812 -0.0005481480 -0.1033957342 -0.0695155570 -0.0215985632 -0.0057814749 -0.0230623411 -0.0024994307 0.0232818383 -0.0109879617 -0.0222246295 0.0246936945 -0.0202263730 -0.0199738766 0.0067197486 0.0155800699 -0.0004220313 -0.0442645303 0.0014348784 0.0156941080 -0.0316687955 -0.0183315864 0.0244972021 0.0318395429 -0.0212240892 -0.0130592066 0.0077112946 0.0052210714 -0.0144025209 0.0171346455 -0.0031677595 0.0058709433 0.1269508002 -0.1527546476 -0.0104110296 0.0036531375 -0.0038967429 -0.0025406441 -0.0056307847 0.0099252123 -0.0052919241 -0.0007918125 -0.0041926051 0.0116054394 -0.0040053004 0.0185133234 0.0091804602 -0.0081605488 -0.0001339566 0.0016799670 -0.0030592367 -0.0132418868 -0.0035506009 0.0038435720 -0.0043117542 -0.0000804462 0.0047759685 0.0021803357 0.0023275700 0.0395773811 -0.0106967331 0.0269881090 -0.0206276745 0.0068475004 -0.0266240032 0.0008984791 -0.0019651785 -0.0078948553 -0.0049652459 0.0015355859 0.0044461223 0.0274502253 0.0266082054 -0.0083923628 -0.0115668648 -0.0019722437 0.0075315573 0.0212805391 0.0074528034 -0.0162296586 0.0170536564 -0.0327696948 0.0035105125 -0.0018558893 0.0409238491 -0.0142844656 0.0195300585 0.0025384903 -0.0073289998 0.0001332345 0.0140275190 0.0030322857 0.0178134007 -0.0359444673 0.0151217302 -0.0221885068 0.0126546256 -0.0043057825 -0.0281982050 -0.0168091239 0.0064731115 -0.0410416843 -0.0394614044 0.0120085129 0.0140678662 -0.0242611120 0.0032883610 -0.1156053650 0.1798974003 0.0606472638 0.0044173098 -0.0350348256 0.0174900766 0.0385273445 -0.0365067867 -0.0099272415 -0.0232008740 -0.0335118195 -0.0238362883 0.5287024012 -0.0890473005 -0.2933983106 -0.2111118409 -0.0285063785 0.0842468602 0.0338286923 0.0587244656 -0.0144524723 -0.1248410021 -0.0801931043 -0.1442119757 -0.3456197624 -0.2123933379 -0.1043416827 0.0266695431 0.0302379314 0.0456413289 0.0450694549 0.0098603544 -0.0074662886 -0.2743432932 -0.1661380066 -0.0858767139 -0.0356636437 -0.0329569189 -0.0369392660 0.1630945773 -0.0985401278 -0.1155133049 -0.0498564319 0.0133823820 0.0644637145 0.0341342449 0.0165303300 0.0291358545 -0.0462632389 -0.0580464450 -0.0560465408 -0.1371877078 0.0358473021 0.0948339655 0.0327142327 -0.0112547896 -0.0753309780 -0.0045648299 0.0034467216 0.0051624325 -0.0167607475 0.0445067504 0.0475556532 -0.0934862211 0.1452137122 0.0598737656 -0.0093965544 -0.0030498980 0.0026967344 0.0230781810 0.0056007891 -0.0051624367 0.0011178677 0.0260830343 -0.0078499889 0.0152678032 -0.0291049484 0.0055268481 0.0170445046 0.0062508799 -0.0021894603 0.0103634459 0.0242564488 0.0057687218 0.0095979814 -0.0084540877 0.0052939776 -0.0208493972 -0.0076313683 -0.0076520350 -0.0439142848 0.0129820327 -0.0072403801 0.0523021269 -0.0019168075 0.0178320893 0.0079106095 0.0120940228 0.0113729122 0.0064093435 -0.0051877427 -0.0072083441 -0.0781374091 -0.0639830126 0.0259910253 0.0296032350 -0.0220200523 -0.0725327804 -0.1598933044 0.1190032927 0.0173172340 -0.0479311434 0.1281549322 0.1004071336 0.1080750059 -0.1745288820 0.1164897143 -0.0430177918 0.0146106550 0.0772328749 0.1289644828 -0.2227311306 0.0291030247 -0.0694769562 0.3677819553 -0.1700603768 0.0264424716 -0.0410004088 0.0334375540 0.0180129813 -0.1897914800 0.0879873223 0.1089790124 0.4358215636 -0.1792251304 -0.0251323909 0.0357524632 -0.0315688502 0.1508298746 -0.2266258538 -0.0979758557 -0.0681109664 0.1744167796 -0.0383471345 -0.0031701881 -0.0342121591 -0.0211125094 -0.0044589894 -0.0014426076 -0.0135209008 0.0604104419 -0.0360182095 -0.0364297016 -0.0865937452 0.0063459485 0.0410213675 0.0057502503 0.0110882327 0.0034926997 -0.0160991401 -0.0113448942 -0.0196525718 -0.0743316298 -0.0431334484 -0.0174871046 0.0069997213 0.0090459007 0.0058931358 -0.0070559216 -0.0085048138 -0.0150791716 -0.0576101957 -0.0346136456 -0.0211877584 -0.0059822831 -0.0052566638 -0.0072128602 0.0364714281 -0.0174529758 -0.0249392200 -0.0275191004 0.0007926780 0.0217871525 0.0069209413 0.0013246932 0.0062279874 -0.0056064913 -0.0129100166 -0.0128237243 -0.0273193610 0.0103131419 0.0181011907 0.0021502663 0.0018934836 -0.0125242153 0.0002101281 0.0015607894 0.0229150252 0.0191072022 -0.0026588648 0.0027687367 -0.0980907310 0.1113687737 0.0184963386 0.0262741336 0.0143663305 -0.0196786697 -0.0632899099 -0.0601386852 0.0186306058 -0.0131612615 -0.0712521136 0.0440821199 -0.0305383370 0.1018797819 -0.0001369091 -0.0352592510 -0.0160695373 0.0177511916 0.0324256757 -0.1525517618 -0.0229612820 -0.0280828802 0.0493152213 -0.0084846028 0.0149293068 0.0023674955 0.0056809196 0.1928246462 -0.0288707705 0.1658202255 -0.1348336059 0.0165527443 -0.1240973541 0.0063612971 0.0133711176 -0.0138999161 -0.0065162870 0.0005362113 0.0070978396 -0.0255642586 -0.0195834327 -0.0321800967 0.0148994603 -0.0080362584 -0.0296677702 -0.0672855909 0.0419197268 0.0121147761 -0.0231112063 0.0588978486 0.0387021801 0.0421008582 -0.0780396631 0.0488358310 -0.0223856860 0.0062049107 0.0326285583 0.0499572621 -0.0816307577 0.0087783682 -0.0377757436 0.1445818148 -0.0684486045 0.0153934922 -0.0195306671 0.0137250539 0.0192337201 -0.0769821521 0.0290455561 0.0677268019 0.2008411896 -0.0716177736 -0.0118480730 0.0161888829 -0.0168176974 0.0997614351 -0.1443461567 -0.0475721267 -0.0346253357 0.0780354883 -0.0176758664 -0.0104893413 -0.0003190823 0.0000482887 -0.0037329693 -0.0010397075 0.0040722564 -0.0054508711 0.0146015653 0.0003542514 0.0390964679 0.0074533575 -0.0002322824 0.0048182636 0.0005894795 0.0019217832 -0.0301462619 -0.0155269996 -0.0037558033 -0.0023532222 -0.0035500196 -0.0015171373 0.0031608017 0.0026386115 0.0017201284 -0.0110847605 -0.0106623105 -0.0097262601 -0.0189641007 -0.0092202165 -0.0102038450 -0.0034098835 0.0002881580 -0.0050544820 0.0296767909 -0.0114591996 -0.0177174770 -0.0265829850 0.0038692154 0.0202699225 0.0038064126 -0.0014939893 0.0057642578 0.0045094613 -0.0106491741 -0.0139185832 -0.0145426561 0.0121675612 0.0098109496 -0.0034321880 0.0036556164 -0.0105887250 0.0014487904 0.0006921122 0.0041294774 -0.0035627615 -0.0049177840 -0.0002260155 0.0439428326 -0.0459592928 -0.0054236678 -0.0547288938 -0.0308998283 0.0539894367 0.1158629681 0.1463991824 -0.0304597226 0.0407906844 0.1651615419 -0.1123254254 0.0485553184 -0.2429305035 -0.0291198285 0.0721620851 0.0339847072 -0.0444989705 -0.1116178000 0.3859047162 0.0519785198 0.1032168170 -0.1694909823 0.0222103873 -0.0222452244 -0.0018935046 -0.0071125145 -0.4101776358 0.0474903933 -0.3754704780 0.2760032423 -0.0255154472 0.2368910641 -0.0160334879 -0.0362271754 0.0161981250 0.0060070796 0.0027164516 -0.0056829618 0.1055492236 0.0903035419 0.0536382484 0.0020091255 -0.0023279131 -0.0048338024 -0.0117531320 0.0111074242 0.0006455363 -0.0048090368 0.0101491647 0.0073754523 0.0074341253 -0.0079979442 0.0052121667 -0.0017780892 -0.0003637172 0.0050676582 0.0115428973 -0.0138583096 0.0002641106 0.0038082960 0.0405105693 -0.0157093152 -0.0039765399 -0.0019439692 0.0061781432 0.0038456144 -0.0098052856 0.0030275864 -0.0015379920 0.0520675545 -0.0235458548 0.0058771650 -0.0080669250 -0.0047802668 -0.0206733978 0.0394520100 0.0151559925 -0.0276370303 0.0325587628 0.0118020646 0.0114978742 -0.0184294161 -0.0023314641 0.0234281684 -0.0054441289 0.0012734953 0.2432089689 0.0206161341 -0.1230498090 -0.2924794384 -0.0243096123 0.1245947738 -0.0307394406 0.0431461253 -0.0454955002 -0.0769927033 -0.0503953638 -0.1603356217 0.1245679274 0.0284426152 0.1105783910 -0.0079636635 -0.0757292533 0.0178014522 0.1946223543 0.1547319022 0.2550801334 0.0935859504 0.0684494249 0.0034808959 0.0159820234 -0.0014387024 0.0403757067 -0.3609918894 0.0521052144 0.2174381980 0.4629684449 0.0038841890 -0.2992273005 -0.0408721589 0.0257453595 -0.0590745838 -0.0534980767 0.1111263247 0.1330595047 0.1455542237 -0.1432746767 -0.0933628402 0.0580931484 -0.0599343489 0.0928617010 -0.0022548297 0.0040367689 -0.0029063764 -0.0132725142 0.0136048590 0.0259364837 0.0042755891 -0.0115966944 0.0244209688 -0.0028325366 -0.0012915370 0.0057593938 0.0063198748 0.0184437042 -0.0021550063 0.0032763909 0.0062156012 -0.0092238498 0.0016249716 -0.0160605541 -0.0026640817 0.0043122880 0.0008169567 -0.0026576104 -0.0202503463 0.0334999076 0.0001689845 0.0259473030 -0.0344241871 0.0041213716 -0.0056633765 0.0002654083 -0.0050227384 -0.0054176061 -0.0007266344 -0.0051637387 0.0097185664 0.0008851257 0.0017604754 0.0005128824 0.0021433311 0.0032756254 0.0025312428 -0.0015214838 -0.0021469061 -0.0110463417 -0.0027503290 0.0241981839 0.0049277072 -0.0004472957 -0.0037911704 -0.0118121860 0.0053799794 0.0052002498 -0.0100035688 0.0166818512 -0.0008953584 0.0014727141 -0.0125714430 0.0023635815 -0.0056960466 -0.0044156834 0.0042025560 0.0073191369 0.0007934447 -0.0060804852 0.0064703374 0.0481837262 -0.0183140139 -0.0000205478 -0.0071576296 0.0058730068 0.0063752035 0.0266679046 -0.0072995022 -0.0018026541 0.0425730338 -0.0263483725 0.0032549920 -0.0000061345 -0.0034876073 0.0073314219 -0.0077046163 -0.0100626175 -0.0067814867 0.0112941792 0.0007384787 -0.0042365519 0.0021124835 0.0038498146 -0.0007198737 -0.0005633880 0.0049550053 -0.0038980651 0.0160123458 0.0016700561 0.0235638768 0.0011982010 -0.0033804197 -0.0008029401 0.0002852241 -0.0021424105 -0.0115628320 -0.0056457079 -0.0051040756 0.0211358777 0.0090203098 0.0092924967 -0.0006403638 -0.0041953009 0.0000547493 0.0099489957 0.0070905156 0.0118378631 0.0061812171 0.0053036258 -0.0008636684 0.0006568067 0.0005681612 0.0015076164 -0.0103171861 0.0017397112 0.0069383482 0.0151254180 0.0003339792 -0.0101274079 -0.0017139227 0.0006257213 -0.0016428348 -0.0001979306 0.0035671522 0.0034597691 0.0061606027 -0.0041704966 -0.0036882755 0.0015882555 -0.0023815416 0.0021123869 0.0011681490 0.0005461172 -0.0023019710 -0.0052217473 0.0006686067 -0.0017676657 0.0261285299 -0.0411536623 -0.0059756722 -0.0151211815 0.0022828420 -0.0802654764 0.0561654880 -0.2590524916 -0.0037809541 -0.0575061977 0.0466379376 0.1210154141 0.0858237225 0.0945919882 0.1095430796 0.0474912041 0.0198976091 0.0473475179 0.3075187853 -0.3273616893 0.0146815166 -0.2853774229 0.4924051279 -0.0294145945 -0.0791638487 -0.0031209328 -0.0237920634 -0.1502817335 0.0516025078 -0.0345269868 0.3835790345 -0.0462584779 0.3779854970 0.0057021662 -0.0196430252 0.0299962311 0.0079731876 -0.0023681808 -0.0172016354 0.0434426990 0.0102236255 0.0360129994 -0.0225125641 -0.0078245690 -0.0131222450 0.0100378401 0.0084174465 -0.0356953553 0.0609902526 -0.0733800337 0.0525550276 0.0498493705 -0.0161956149 0.0548721203 0.0182877771 0.0363666197 -0.0244395073 -0.0851601665 -0.3047654140 0.1479677418 0.0067386635 -0.0252623904 0.0051392787 0.0189108721 0.0416568530 0.0047953522 0.0370388163 -0.0747240220 0.0272470079 -0.0685398162 -0.2211028353 0.0850702692 -0.0147694928 -0.0045234743 0.0035036120 0.0856158192 -0.1213444468 0.0244507802 -0.0431720273 0.0665492669 0.0113163276 -0.0071087339 0.0025435827 0.0071062452 0.0268155509 0.0145925041 -0.0313023232 -0.2461564841 0.0176902064 0.1123502827 -0.0362270595 0.0613884259 0.0721020965 -0.0321272637 0.0384788730 0.0277636567 -0.2765874123 -0.1681939472 -0.1521633106 0.2585316885 0.1033482293 0.2374602672 0.0348435433 -0.0229775946 -0.0179214243 0.2541105553 0.1744105179 0.1465761649 -0.3394939860 -0.1847111702 -0.2487116814 -0.0148549700 -0.0268713065 0.0082278538 0.2031661098 -0.0185222074 -0.1092828623 -0.0445835884 -0.0542350402 -0.0090455692 0.0101405586 0.0165986490 0.0151825872 -0.0298709757 -0.0243535599 -0.0295408091 -0.0363988855 -0.0086250766 0.0418727550 0.0334773197 -0.0328849736 -0.0579945929 0.0004415228 0.0016472144 -0.0085229742 0.0009924872 -0.0173037742 -0.0004675145 -0.0074973660 0.0222711109 0.0041603365 0.0013900593 -0.0001987712 -0.0022193351 -0.0020476198 -0.0065374891 0.0004426819 -0.0003822627 -0.0026305217 0.0020867645 -0.0015995427 0.0080523495 0.0021351189 -0.0032958417 0.0010706980 0.0000089209 0.0128315659 -0.0155452699 0.0016041205 -0.0121003606 0.0136323726 -0.0020344833 0.0061120167 0.0000426787 0.0042093877 -0.0101143684 0.0039419828 -0.0094008575 -0.0076945799 -0.0023839131 0.0040483355 -0.0014956629 -0.0043667580 -0.0039838942 -0.0030258639 0.0022030212 0.0027260264 0.0223010268 0.0134484172 -0.0177937874 0.0234744817 0.0194909015 0.0367481364 0.0273269163 -0.0634936880 0.0538470124 -0.0627314509 0.0674006600 -0.0800154520 -0.0908187727 0.0586014669 -0.0902716921 -0.0195449246 -0.0312014428 0.0386335343 0.1450072123 0.5749124260 -0.2562404902 -0.1076033065 -0.2498588052 0.0980196786 -0.0075423887 -0.0611892562 -0.0380058225 -0.1344973483 -0.0842088446 0.0542788681 0.1739623362 0.3585006556 -0.1279447237 -0.0048051476 0.0282345288 0.0007602845 -0.0427795818 0.0214340702 -0.0873963543 0.1110966918 -0.1126745576 -0.0632282476 0.0082292816 -0.0001480643 -0.0003517292 0.0165184145 0.0079083029 -0.0187919204 -0.1346414904 0.0060092073 0.0617473957 -0.0376779857 0.0328231894 0.0462144164 -0.0174542229 0.0203015646 0.0152135106 -0.1361891692 -0.0846903767 -0.0790661972 0.1251413822 0.0508426858 0.1196757775 0.0181471237 -0.0108472578 -0.0092181143 0.1297763018 0.0894709149 0.0738981384 -0.1778046323 -0.0976331046 -0.1283283259 -0.0074264754 -0.0141929739 0.0041604420 0.1046914341 -0.0094351783 -0.0565692035 -0.0247290785 -0.0287305615 -0.0038696589 0.0054304240 0.0086315917 0.0077512654 -0.0162534239 -0.0125529262 -0.0146210657 -0.0196131636 -0.0044220920 0.0219627797 0.0172125842 -0.0165872768 -0.0294466278 -0.0013581196 0.0000283910 0.0035504301 0.0012832034 -0.0120851325 -0.0015545922 -0.0213052607 0.0346168325 0.0033959801 0.0021146170 0.0029584299 0.0002117486 -0.0116665644 -0.0136224350 0.0075968286 0.0008237770 -0.0033629900 -0.0001406320 -0.0049760028 -0.0046651494 -0.0140022024 -0.0022819860 -0.0008886220 -0.0002939539 0.0041677922 -0.0064707486 0.0009779638 -0.0033304113 0.0027174094 -0.0011001988 0.0041899046 -0.0002811139 0.0029795520 -0.0003960094 0.0000486150 -0.0016751162 -0.0126493449 0.0008811439 -0.0097184064 -0.0016459257 0.0001423147 -0.0014814486 -0.0003166116 0.0002180506 0.0009191559 0.0045402484 0.0042111469 -0.0066214698 -0.0373182399 0.0045740670 0.0155317628 0.0774468602 -0.0805726188 -0.0297067366 0.1028541100 -0.1321050147 0.0577733955 0.0260444145 0.0461519483 0.0408122209 0.0303127473 0.0797719952 -0.0092963860 -0.0242653477 -0.0422778039 0.0631421014 -0.1887657983 -0.5362088766 0.1875328324 0.0467365057 0.0319776016 -0.0411417650 -0.1152310624 -0.4763676676 0.2186303037 0.0805070475 0.0042779950 0.0091179352 -0.0450297910 0.0112157587 -0.0029767643 0.1902645425 -0.3215009796 -0.0502747874 -0.0324162418 0.1431681111 -0.0489107308 -0.0066972318 -0.0143775548 0.0012914699 -0.0041818868 -0.0035376034 -0.0048155776 0.0404737353 -0.0267319463 -0.0208082542 -0.0505630151 -0.0052008031 0.0197403119 0.0185977213 -0.0011894775 -0.0019637792 0.0361807480 0.0229094589 0.0250977137 -0.1359025195 -0.0686097497 -0.0802742687 -0.0016108050 0.0089545704 0.0142261560 -0.1103489775 -0.0772257097 -0.0496285059 0.0686946885 0.0350992077 0.0614034436 0.0056046382 0.0075339016 -0.0056477448 -0.1229448948 -0.0066296232 0.0663333876 0.0562601700 0.0219889202 -0.0206913359 -0.0043035993 -0.0036291077 -0.0109584369 -0.0022253942 0.0167484532 0.0265576023 0.0091302424 -0.0066285429 -0.0158420962 -0.0092923090 0.0137113852 0.0342255736 -0.0001301236 0.0025670838 -0.0007614069 0.0125013584 -0.0075523901 0.0031839830 -0.0523899249 0.0634687322 0.0136367643 0.0009201828 0.0053376249 -0.0036053816 -0.0093781544 -0.0395578692 0.0129800536 -0.0023497927 -0.0040367746 0.0024600383 0.0008035130 -0.0054706528 -0.0121511883 0.0017998296 0.0012174065 0.0031330209 0.0205058943 -0.0204860271 0.0028645576 -0.0092852069 0.0243385442 -0.0017510692 -0.0053326724 0.0011177806 -0.0015926345 -0.0064151495 -0.0004775117 -0.0038063243 0.0332742963 -0.0019813491 0.0299605775 0.0018104070 -0.0056319566 -0.0035590584 -0.0032843412 0.0016281143 0.0028824699 0.0191002088 0.0150221466 0.0017172718 0.0072518075 0.0003194115 -0.0007222617 -0.0110018901 0.0139488291 0.0059001020 -0.0192206225 0.0218019638 -0.0190365237 -0.0114186210 -0.0085035514 -0.0117935551 -0.0062052868 -0.0172526070 -0.0010373082 -0.0027813898 0.0136180512 -0.0130719744 0.0375152139 0.0923210980 -0.0320099748 -0.0036207088 -0.0064461946 -0.0003276322 0.0192734868 0.1214648187 -0.0531929150 -0.0097339414 -0.0757039113 0.0350035452 -0.0051857223 0.0182893763 0.0121460732 -0.0004224077 -0.0131153665 -0.0251903183 0.0711987794 -0.1012821918 -0.0172082868 -0.0054107952 0.0166433369 0.0056938934 0.0110061756 0.0014390252 -0.0470425639 -0.3428073164 -0.0765109403 0.1635710912 0.0407772964 0.0345588631 0.0039649766 0.0640718974 0.0316514729 0.0443432651 -0.3170876030 -0.1792697564 -0.0669660299 -0.2720548766 -0.1709996126 -0.0708151216 0.0615442743 0.0294263373 0.0563350905 -0.2981193672 -0.2164264282 -0.0913835801 -0.2100099390 -0.1409069653 -0.0676037181 0.0125348252 0.0029790065 -0.0305544394 -0.3912860209 -0.0951082315 0.2133174281 0.1888626877 0.0376858109 -0.0990572695 -0.0029935118 -0.0014970926 -0.0354913210 -0.0643556490 0.0488000856 0.1106693926 -0.0377599187 -0.0251292919 -0.0128467584 -0.0225679675 0.0537503609 0.1072839741 0.0013424869 -0.0015155583 -0.0031774610 0.0088120510 -0.0225560183 -0.0042743442 -0.0450914053 0.0690560557 0.0085760553 -0.0009071494 -0.0033159518 -0.0022861459 0.0014325302 0.0096771342 -0.0068054901 0.0007586030 0.0158372747 0.0046537531 -0.0028540604 0.0135896484 0.0095583937 0.0018222914 -0.0045179732 -0.0017491781 -0.0041054549 0.0067327692 0.0011925461 -0.0391530463 0.0354279005 -0.0052004464 0.0133144234 0.0003669178 0.0101229652 -0.0330952543 0.0085624858 -0.0320965402 -0.0309559553 -0.0029464350 -0.0057538661 -0.0025416489 -0.0092167854 -0.0027003566 -0.0056258274 0.0058224503 0.0040767013 0.0464298975 0.0083521516 -0.0771705159 0.0010260946 -0.0010433061 -0.0007292282 -0.0041118103 0.0038748656 0.0012816931 -0.0034191098 0.0048402733 0.0016683085 0.0005373587 0.0009402631 -0.0020013215 -0.0008148676 -0.0007628503 0.0012408421 0.0009956833 -0.0004919440 0.0001034952 0.0006897288 0.0110571382 -0.0047520950 -0.0024134458 0.0021140685 0.0029139790 0.0111052008 -0.0131699530 -0.0021665626 0.0050533237 0.0268010723 -0.0054146690 0.0075846857 -0.0090696906 -0.0086555874 0.0009214810 0.0223112090 0.0291615671 -0.0376747034 0.0175909708 0.0205605867 -0.0059816795 0.0017206743 0.0094528327 -0.0071685925 0.0041601161 0.0027948273 -0.0533261254 -0.0084071863 0.0315831404 0.0907428612 0.0003479551 -0.0530754304 0.0086560993 -0.0002473253 0.0056597244 -0.0713208651 -0.0362608121 -0.0056497994 0.0089878654 -0.0004409072 0.0055938904 0.0100360522 0.0037149970 0.0072892311 -0.0321366140 -0.0253956702 -0.0089236060 -0.0437007605 -0.0280651358 -0.0189453290 0.0039629604 0.0004634372 -0.0056246196 -0.0513947281 -0.0174478657 0.0295590491 0.0092819675 0.0008886439 -0.0075570253 0.0002149527 -0.0014384000 -0.0041403677 -0.0098637490 0.0061077072 0.0183853253 -0.0106859737 0.0029233258 -0.0001642477 -0.0072542305 0.0117676260 0.0139916508 0.0013908868 0.0006457770 -0.0053037796 -0.0064810970 0.0032038369 -0.0054053866 0.0357499328 -0.0324078679 -0.0124423797 0.0161293497 0.0499086955 0.0245681915 0.0212379691 -0.1804885698 0.0967460284 -0.0222639846 -0.3133973777 -0.0974871203 0.0544007255 -0.1993479296 -0.1464306839 -0.0727800610 0.0786988547 -0.0006551769 0.1977253378 -0.1987582318 0.0316693071 0.3766661432 -0.3484396223 0.0310517794 -0.0431314492 -0.0107836012 -0.0501101509 0.1155072442 -0.0076552719 0.1209617740 0.2514759019 -0.0261313278 0.1617222096 -0.0056622185 0.0198944933 -0.0169459037 0.0291657873 -0.0261932723 -0.0106482037 -0.1660252114 0.0589976493 0.4807287078 -0.0079111011 -0.0025551454 -0.0017556711 0.0074289318 -0.0139903941 -0.0064999196 0.0160266302 -0.0141342348 0.0335246866 0.0228925877 0.0162437298 0.0152586448 0.0078749954 0.0201937309 0.0048701779 0.0155368631 -0.0160969377 0.0124130372 -0.0381015258 -0.0832745861 0.0302584619 -0.0108385631 0.0088399310 0.0155864368 -0.0154145378 -0.1682378015 0.0700225745 -0.0094736845 0.2293213713 -0.1156581234 0.0482565943 -0.0792861041 -0.0446212081 -0.0977720944 0.2246009171 0.1346196623 -0.2197914429 0.2390079339 0.0842608370 -0.0047808544 0.0039148874 0.0078894443 -0.0917538301 0.0134193769 0.0531520422 0.1102565610 0.0436785254 -0.0621980214 0.5405787136 0.0194434720 -0.2591230749 0.0407838048 -0.0094188371 0.0008770765 -0.3129683884 -0.1637328463 -0.0430724317 0.1569136044 0.0858509823 0.0142454429 0.0198142785 -0.0079536072 0.0148880787 -0.0464878272 -0.0366080490 0.0216003119 -0.0602760690 -0.0378261326 -0.0386606314 -0.0042060300 0.0014764251 -0.0055854105 -0.0699702083 -0.0436073066 0.0451592311 0.0790165119 0.0061404264 -0.0569063195 -0.0049297926 0.0045412812 -0.0027368813 -0.0067249446 0.0090200631 0.0079169201 0.0175711248 -0.0091392320 -0.0085071864 0.0081580839 -0.0143236453 -0.0132508268 0.0015970726 -0.0025621324 0.0008883690 -0.0181728960 0.0428575746 -0.0273171878 0.1491943963 -0.1736817422 -0.0627617344 0.0010315837 -0.0084586459 -0.0042992224 -0.0179311398 0.0314852319 -0.0142003810 0.0073511516 0.0563364782 0.0176139439 -0.0212953082 0.0460287123 0.0189222573 0.0094336834 -0.0144985428 -0.0014521365 -0.0264835003 0.0156587015 -0.0095470247 -0.0766375328 0.0548430542 -0.0031956606 0.0111364257 -0.0029512567 0.0157448574 -0.0122183984 -0.0038598506 -0.0079424447 -0.0884023514 0.0159415640 -0.0950776414 0.0030584945 0.0167106633 0.0068989891 0.0028504757 -0.0036902798 -0.0045400267 -0.0672356460 -0.0590657645 -0.0339382845 -0.0066741766 -0.0033734271 -0.0018754686 0.0078475432 -0.0094559653 -0.0081124962 0.0115223193 -0.0106032574 0.0277706258 0.0230044793 0.0142526166 0.0145703686 0.0078604557 0.0178070848 0.0007258234 -0.0006132308 -0.0286463910 0.0222907099 -0.0281178353 -0.0550104517 0.0151958047 -0.0135624886 0.0028973795 0.0152873236 -0.0011629050 -0.0913667451 0.0338942137 -0.0110041639 0.1872835576 -0.0929791065 0.0493788716 -0.0738616627 -0.0403185157 -0.0925288766 0.2233782946 0.1417980527 -0.1887456184 0.1673774623 0.0859975624 -0.0141800349 0.0218918545 0.0224436195 0.0810873343 -0.0198193492 -0.0220410594 -0.1527482958 0.0190263161 0.0879909100 -0.2724454524 -0.0466516514 0.1106115333 -0.0420789202 0.0079006906 -0.0058711324 0.2012151774 0.1073146517 0.0107458859 -0.0324124856 -0.0257807103 0.0349136221 -0.0220201372 0.0155747701 0.0092770205 0.1156662129 0.0754293459 0.0173048053 -0.1584215808 -0.1242009349 -0.0070275143 0.1009455445 0.0083849573 -0.0478922573 -0.2596984242 -0.0261142319 0.1518866110 -0.3729108799 -0.0606215982 0.1953216034 0.0179057746 -0.0468265693 -0.0260421485 -0.0717285134 0.0436349362 0.2172291680 -0.1959234965 0.1523148557 0.0190303640 -0.1508393082 0.2072107139 0.1736274929 0.0008088295 0.0009547856 -0.0162384075 -0.0322939266 0.0171784989 0.0137935594 0.0990230874 -0.1062737188 -0.0008864233 -0.0023957872 -0.0038805423 -0.0008816481 0.0016982598 0.0204410255 -0.0091626891 0.0027553812 0.0289905231 0.0043803662 -0.0055293259 0.0176392736 0.0141255557 0.0092686054 -0.0096536050 0.0010273924 -0.0333078370 0.0309100672 -0.0062061884 -0.0265853501 0.0241953089 -0.0014205205 0.0004036163 0.0028035473 -0.0032624361 -0.0004472979 0.0218242187 0.0160425810 -0.0378613282 -0.0091443562 0.0138597897 -0.0056307085 0.0027020488 0.0031964879 0.0066862418 -0.0031533258 -0.0053430506 -0.0128935114 0.0052153211 0.0412415523 0.0053718135 0.0037930792 0.0015628060 -0.0058567470 0.0052718209 0.0071521916 -0.0070467330 0.0062509344 -0.0241459780 -0.0205152433 -0.0148749978 -0.0107348216 -0.0068035644 -0.0152711848 -0.0005721103 0.0017629430 0.0256319917 -0.0203837282 0.0238799454 0.0440966424 -0.0111629217 0.0136449643 -0.0029072312 -0.0143654315 -0.0025869141 0.0758382116 -0.0258198709 0.0103234306 -0.1730850071 0.0849392130 -0.0489598749 0.0719383317 0.0398087815 0.0870956752 -0.2199044822 -0.1464697737 0.1825613403 -0.1463011008 -0.0874382291 0.0172476420 -0.0300790226 -0.0254323051 -0.0836822056 0.0225929891 0.0455528264 0.2901664762 0.0275449892 -0.1533084522 0.2356447454 0.0333448505 -0.1048232194 0.0054860070 -0.0041863331 -0.0229061336 -0.1447523614 -0.0688053127 -0.0469624087 0.1984892645 0.1140019470 0.0395092361 -0.0288994855 -0.0134288106 0.0116666147 0.1594845234 0.1101583138 0.0958409661 -0.1007063039 -0.0887596812 0.0063742824 0.0952326256 0.0135164533 -0.0446869001 -0.2548894971 -0.0511026770 0.1617113912 -0.3116952661 -0.0613661426 0.1394920863 0.0068616328 -0.0403100284 -0.0198291149 -0.0459909402 0.0485037015 0.1920268824 -0.1389888236 0.1450283060 -0.0006178152 -0.1278894497 0.1601170828 0.1238611938 -0.0013538949 -0.0002081189 0.0170567268 0.0295877738 -0.0109912504 -0.0140749823 -0.0700657096 0.0782806713 -0.0053463011 -0.0038870015 -0.0121342335 -0.0007268028 -0.0098421956 0.0595365490 -0.0226230990 0.0013689236 0.0590543835 0.0340491967 0.0002982846 0.0233882754 0.0355255005 0.0135417237 -0.0102108434 0.0125459906 -0.0932236166 0.0766351942 -0.0181781525 0.0499657608 -0.0173541653 0.0062727081 -0.0333684218 0.0080451158 -0.0355214869 0.1610729597 -0.0384409429 0.1233562158 0.0868537362 0.0013966770 0.0532262077 0.0140248368 0.0030352795 0.0115800580 -0.0049424620 0.0007691176 -0.0002552317 -0.0002007762 -0.0253636465 -0.0323576580 -0.0015422922 0.0012134600 -0.0009585858 0.0061247269 -0.0100005302 -0.0028738332 0.0084701049 -0.0087791309 0.0023951670 0.0055709605 -0.0084432521 0.0118657812 0.0012215612 0.0064704298 -0.0029495015 -0.0089057780 -0.0174926720 0.0109409489 -0.0067425095 -0.0120610225 0.0015336101 0.0020358385 -0.0115096922 0.0009269424 -0.0011060771 0.0350146700 -0.0100629518 0.0057568192 -0.0062419910 0.0018314854 -0.0092483891 0.0179624356 0.0075001637 0.0158732769 -0.0576631302 -0.0551165295 0.0568276900 -0.0294573535 -0.0340365623 -0.0023399941 -0.0052113679 0.0061597538 0.0053439241 0.0041038620 -0.0036139332 -0.0271330375 -0.0235403507 0.0230203221 -0.0057961194 -0.0054809218 -0.0142144644 0.0005637517 -0.0010785461 0.0025694737 -0.0060971280 -0.0005962479 0.0073347397 -0.0096915496 -0.0093954293 0.0009775288 0.0037781770 0.0015981712 0.0002238986 -0.0168400960 -0.0131983353 -0.0099913205 0.0031237545 0.0048600041 -0.0031673092 -0.0069773270 -0.0007401441 0.0028176861 0.0126682840 0.0009311767 -0.0078982677 0.0252616490 0.0048191904 -0.0123077533 -0.0001574734 0.0025550809 0.0005709533 0.0015022867 -0.0027506442 -0.0107444211 0.0072916569 -0.0102166982 0.0004223931 0.0080650549 -0.0090277164 -0.0059247160 0.0007714352 0.0018219555 -0.0039070192 -0.0031324175 -0.0061790269 0.0032945592 0.0143568982 0.0134401594 0.0024930672 0.0030031001 -0.0586173544 -0.0133281953 -0.0600248275 0.2342271546 -0.0983780264 0.0362411768 0.2585678188 0.0967554188 -0.0807406216 0.2085283301 0.1275053059 0.0304899182 -0.0321990400 -0.0049757763 -0.0474512863 0.0858541657 0.0117396407 -0.1220578161 0.1381397728 -0.0211741302 -0.0028988455 0.0128104874 0.0110900296 -0.0411118241 0.0859344721 0.0586603274 -0.1881341141 -0.0072925645 -0.0061626074 -0.0385155287 0.0455723716 -0.0410775287 0.0561312274 -0.0462166021 -0.0237773823 -0.2695882602 0.1427166833 0.7519912280 -0.0030773203 0.0008046613 -0.0011445048 0.0059782566 -0.0128427575 -0.0027310462 0.0096229597 -0.0083513439 0.0109071558 0.0094425106 -0.0005065496 0.0114885701 0.0026855378 0.0070993066 -0.0004293619 -0.0006587415 -0.0100752135 0.0075894708 -0.0107646407 -0.0246521143 0.0077159883 -0.0038068925 -0.0029941529 0.0052411198 -0.0018555959 -0.0197617146 0.0086892389 -0.0017398055 0.0615132316 -0.0315943736 0.0134675376 -0.0188024103 -0.0105849707 -0.0280564682 0.0600280685 0.0290945406 -0.0460962189 0.0478310063 0.0184479269 -0.0083820131 0.0074164071 0.0077935398 0.0194181816 0.0043197077 -0.0092379948 -0.1314703936 -0.0541479167 0.0880342579 -0.0488809004 -0.0331127083 -0.0350153915 -0.0034340024 -0.0017882955 0.0101399664 0.0223340741 0.0092327048 0.0154189361 -0.0270126457 -0.0152008501 0.0025910940 0.0201144443 0.0086344545 -0.0007977360 -0.0736164455 -0.0513821208 -0.0376722228 -0.0046996528 0.0051647470 -0.0232844533 -0.0316484149 -0.0056710529 0.0127424123 0.0680620001 0.0072109323 -0.0444748584 0.1083709419 0.0191583252 -0.0511639276 -0.0029322666 0.0141696766 0.0066498940 0.0120356511 -0.0158609609 -0.0630998054 0.0483568311 -0.0493897169 -0.0002855027 0.0422339468 -0.0542522227 -0.0449631891 0.0005814451 -0.0000827701 -0.0059686714 -0.0025258357 -0.0015051012 -0.0063310330 -0.0029014606 -0.0196627291 -0.0069084303 -0.0173245306 -0.0271046501 0.0014075107 -0.0043172467 0.1578414993 -0.0589611575 0.0007155826 0.1564951316 0.0761445933 0.0102354157 0.0486583643 0.0992349159 0.0485314522 -0.0416798735 0.0416311789 -0.3416184876 0.2754003694 -0.0695679142 0.1458543649 -0.0517843129 0.0209631794 -0.0946898521 0.0280803077 -0.1272242876 0.4961565120 -0.0326806862 0.4367766446 0.1970928923 -0.0467280937 0.2676435748 0.0295038543 0.0015616757 0.0484804430 -0.0057789977 0.0031092151 -0.0107720665 0.0357099890 -0.0692206001 -0.1073827150 0.0559422995 -0.1073731146 0.0483802186 -0.1090539674 0.5059360855 -0.0119890789 -0.3843315974 0.3048325603 -0.1517776387 -0.0824759957 0.3327044587 -0.3731562522 -0.0067913499 -0.0201754764 0.0118732233 -0.0282209488 0.0834908154 -0.0110606617 -0.0253029739 0.0884931778 -0.0697405952 0.0103966924 0.0772534527 -0.0273794021 0.0266898797 -0.2745087211 0.0701294049 0.0184374308 -0.1642510512 0.1196486554 -0.0055800604 -0.0260352580 -0.0026266417 0.0632887216 -0.0802577220 0.0548831871 -0.0666677425 0.0822360775 0.0202896891 -0.0057929283 0.0003951972 0.0075703165 0.0017023619 -0.0005748904 -0.0009319011 -0.0067007287 -0.0025513418 0.0042598070 -0.0031389001 -0.0020210249 -0.0007316431 0.0007920724 0.0005822494 0.0003532555 0.0001277680 0.0021003092 0.0032191208 -0.0049216460 -0.0055284825 0.0012404467 -0.0009329421 -0.0002769846 -0.0005890160 0.0018843240 0.0006177407 -0.0012584493 0.0028569168 0.0028074819 0.0005749757 -0.0001375963 0.0000907267 0.0003318736 0.0027205669 0.0009737372 -0.0014700924 -0.0008535327 -0.0001072208 0.0004585776 -0.0000033640 0.0000078396 0.0001002902 0.0009050790 -0.0000778280 -0.0007272925 0.0001725448 -0.0001467543 0.0000480803 0.0005132885 -0.0006051783 0.0001214630 0.0008136615 0.0007529357 -0.0065841442 -0.0009700170 0.0014800758 0.0007561631 0.0030019897 -0.0009848870 0.0005237604 -0.0053201984 0.0112568150 0.0008358072 0.0106376354 -0.0450725440 0.0174802680 -0.0030556864 -0.0053605953 -0.0187159223 0.0063273623 -0.0286121143 -0.0217323451 0.0151573997 -0.0158794865 0.0026398271 -0.0479440670 0.0387914584 -0.0119607156 -0.0468006681 0.0381309200 -0.0002611107 -0.0031064136 0.0053109715 -0.0018641011 0.0153629172 0.0069740648 0.0202205730 -0.0309320995 -0.0004894277 0.0034261212 -0.0010066334 0.0018915462 -0.0036211066 0.0027552035 -0.0026689697 -0.0009818903 -0.0162944218 0.0107382435 0.0515286650 0.0073790584 -0.0377730082 0.0168154068 0.0084390124 0.1387655251 -0.0312008826 -0.1047228445 0.0664033802 -0.0373992650 0.0118169430 0.1095407923 -0.0790574666 0.0088960514 0.0369313240 -0.0142679517 -0.0481095936 -0.0742353496 0.0562887463 -0.0500796051 -0.0907825407 0.0152722918 -0.0005428355 -0.0293178702 0.0120179984 -0.0133612908 0.0647891625 -0.0071158852 -0.0063749285 0.0672648353 -0.0503446147 0.0011544827 0.0025504029 0.0019757401 -0.0425011809 0.0308177139 -0.0409518004 0.0323009265 0.0144957023 -0.0279310560 0.0035951123 0.0002007177 -0.0031644671 0.0027116241 -0.0041902537 -0.0004600025 0.0011531207 0.0237795038 -0.0085908778 -0.0000285888 0.0076744768 0.0209009957 -0.0037325551 -0.0016489535 -0.0008999353 0.0186722638 0.0053569999 -0.0024318958 0.0023568887 0.0065620402 -0.0041767836 0.0032506268 0.0019213628 0.0006816782 -0.0124768829 -0.0056542701 -0.0004617540 -0.0020374208 -0.0048262933 0.0009668920 -0.0029302803 -0.0006502442 0.0007372944 0.0008753383 0.0027083258 -0.0022853631 0.0102821026 0.0040611073 -0.0014325554 0.0029163230 -0.0008338550 -0.0019800426 -0.0110413064 -0.0012753903 0.0083586141 -0.0107785651 0.0013279765 0.0033195384 -0.0046681753 0.0099770640 0.0047302667 -0.0006279991 -0.0011389748 0.0028162143 -0.0037690851 0.0040739686 -0.0003892502 0.0089118850 -0.0163197988 -0.0025372773 0.0512845375 -0.1149215342 -0.0113250789 -0.2150784911 0.3841922119 -0.1377256419 0.0787050655 0.2880827875 0.1753607396 -0.1877722625 0.3427225242 0.1368312483 -0.0891101831 0.0904081511 -0.0101448687 0.2984088552 -0.1978487858 0.1109823869 0.3192427764 -0.1668816310 -0.0216183776 0.0073889102 -0.0291145792 -0.0039910656 -0.0666968682 -0.0012035072 -0.0539289899 0.1832623216 -0.0203448798 0.0552693377 0.0078840546 -0.0116462745 0.0125946933 -0.0134459976 0.0121180386 0.0057556265 0.0678172773 -0.0440267405 -0.1937013839 -0.0003401968 -0.0016007523 0.0001850408 0.0022838467 0.0023427246 -0.0024236397 -0.0027485318 0.0018109410 0.0017807895 0.0044602562 0.0048086430 0.0004067577 0.0016680553 0.0036883269 -0.0010552974 -0.0083683942 -0.0057647467 0.0088285599 -0.0086415304 -0.0079700527 -0.0029347059 -0.0028326217 -0.0039746411 0.0028297981 0.0063200929 0.0060271251 -0.0061074428 0.0042394042 0.0269848797 -0.0097134051 0.0061242781 -0.0063667539 -0.0066547086 -0.0051333341 0.0260112786 0.0232928608 -0.0165942243 -0.0033050016 0.0108657336 -0.0061037715 0.0099413826 0.0148497080 -0.0026292564 -0.0146955616 -0.0205977166 -0.1341636009 -0.0131207195 0.0471182390 0.0166212396 0.0200539999 0.0295169837 0.0892648311 0.0557916824 0.0209008994 -0.2629019774 -0.0824767474 0.0021981905 -0.2778178185 -0.2374679324 -0.0231065689 -0.1041379269 -0.0454763539 -0.0141437525 0.3047649671 0.1547809996 0.0223742065 0.1235694492 0.1382312279 0.0594281263 0.0921090723 0.0205601081 -0.0297355904 -0.0739988147 -0.0652691439 0.0837639224 -0.3120339052 -0.0995993405 0.0755872988 -0.0894463336 0.0236477641 0.0580973126 0.3458963157 0.0377572521 -0.2647814686 0.3221571682 -0.0529860707 -0.0981302818 0.1412405451 -0.2965383177 -0.1150823411 0.0005491120 0.0005419405 -0.0088407258 0.0022927341 -0.0062616854 -0.0000248145 -0.0175943467 0.0245308846 0.0050076475 0.0014813509 -0.0046810499 -0.0000863315 -0.0071486168 0.0194166702 -0.0067074871 0.0027363804 0.0124352868 0.0073705201 -0.0065141717 0.0138882030 0.0076655090 -0.0026200101 0.0020147037 0.0005603256 0.0005223238 0.0007336298 0.0021381682 0.0169161871 -0.0093709081 -0.0005250903 -0.0002860551 -0.0006423468 -0.0053107240 0.0091523212 0.0150926966 0.0215538985 -0.0017469767 -0.0103790182 0.0239614299 0.0005693444 -0.0006557394 0.0006492188 0.0001969994 0.0000429958 -0.0003562770 -0.0000645083 -0.0024955619 -0.0010371165 -0.0008268664 0.0105074616 -0.0051960153 -0.0094040283 -0.0352333588 0.0125791592 0.0265376854 -0.0133055275 0.0122029054 -0.0067913173 -0.0286409876 0.0163868178 -0.0027486762 -0.0158727020 0.0078342011 0.0203107531 0.0391186149 -0.0239973625 0.0163555185 0.0413423056 -0.0115985206 -0.0023502690 0.0170298021 -0.0060287391 0.0083575361 -0.0598437533 0.0098940867 0.0071703077 -0.0173550903 0.0226252671 0.0049050621 -0.0107054118 -0.0049721873 0.0038369397 0.0083016943 0.0254661206 -0.0226545832 0.0116677394 0.0111383023 -0.0053965094 0.0073420425 0.0144796146 -0.0088714504 -0.0119353636 -0.0197572345 -0.1370146857 -0.0027617703 0.0442193606 0.0542886393 0.0335005236 0.0255396302 0.0909547855 0.0478052772 0.0215096137 -0.2854153811 -0.0803305036 0.0357700471 -0.2008537233 -0.2078023274 0.0098217563 -0.0811381067 -0.0629474734 -0.0538028749 0.1814032468 0.1431531364 0.0960492863 0.3361835036 0.2217975837 0.1182620464 -0.0459118768 0.0103606165 0.0479615272 0.2640998668 0.1258271829 -0.1481589587 0.0924158971 0.0387341243 -0.0211947511 0.0783495695 -0.0389566465 -0.0563178236 -0.2140941338 0.0033203867 0.2706853669 -0.3476056878 0.1055922568 0.0892330870 -0.1181945230 0.2646014146 0.1986923966 0.0004557943 0.0008042233 -0.0087088996 0.0017687254 -0.0049362948 -0.0012739901 -0.0257846827 0.0214694096 0.0033368313 0.0024834130 -0.0062504001 -0.0001538348 -0.0146493191 0.0216816596 -0.0067524932 0.0054518236 0.0222991351 0.0093561598 -0.0133510287 0.0191470380 0.0053622913 -0.0029952897 0.0021220861 0.0010592060 0.0004976589 0.0018149994 0.0034749249 0.0213668888 -0.0088689157 -0.0012437814 -0.0007147883 -0.0008406143 -0.0069687133 0.0128860358 0.0188980838 0.0287701731 -0.0017274085 -0.0128072553 0.0295345087 0.0013735551 -0.0006598704 0.0014211052 -0.0004211624 0.0003803600 -0.0001994923 0.0019441413 -0.0042662180 -0.0072077580 0.0031759831 -0.0753375078 0.0349121882 0.0763801931 0.2326986648 -0.0941958423 -0.1817729691 0.0905611719 -0.0698090139 0.0676454324 0.2058014479 -0.0991619628 0.0241034427 0.1272465371 -0.0595586205 -0.1671454330 -0.3017448565 0.1973470510 -0.1425845068 -0.3246128382 0.0802017810 0.0030233454 -0.1399877927 0.0576182885 -0.0235030271 0.4497115953 -0.1008291352 -0.0274238599 0.2654374351 -0.2114583844 -0.0047579795 0.0464999103 -0.0009926937 -0.0405171942 0.0588856725 -0.0622206857 0.0738963119 -0.1060295187 -0.0246592874 0.0055509805 -0.0014673231 -0.0060726684 -0.0072809969 0.0022383195 0.0002356755 -0.0055032033 -0.0089004391 0.0028446760 0.0188121891 0.0041768951 -0.0103918319 0.0134492970 0.0060216053 0.0031525168 -0.0507939662 -0.0200656796 -0.0011573833 -0.0164319579 -0.0177562406 0.0003345973 -0.0108577694 -0.0095153500 -0.0079215407 0.0262506997 0.0230379339 0.0191082465 0.0455184593 0.0273904988 0.0165687050 -0.0072349192 0.0011844124 0.0072866351 0.0391965720 0.0178135822 -0.0219400832 0.0161622188 0.0051324039 -0.0052574495 0.0124185846 -0.0058847921 -0.0087821442 -0.0365990917 0.0002838971 0.0440717807 -0.0537375601 0.0173468454 0.0136169227 -0.0194641049 0.0421223734 0.0281966638 -0.0015341269 -0.0005942151 0.0056480553 0.0049315755 -0.0065192761 -0.0020480379 -0.0124021605 0.0150618279 0.0001142759 -0.0199954615 0.0400356576 0.0032776045 0.1030840878 -0.1119671616 0.0352446268 -0.0403403294 -0.1415618228 -0.0510185722 0.0999613881 -0.1289916670 -0.0177162844 0.0251156240 -0.0225745325 0.0020467223 -0.0940763549 0.0453432972 -0.0497936196 -0.1011115846 0.0212119836 0.0171068959 -0.0014777639 0.0078115582 0.0030489209 0.0260345384 -0.0165107457 0.0059585739 -0.0420195508 0.0134910166 -0.0353031247 -0.0012234179 0.0043396379 -0.0000794449 0.0023280678 -0.0026820653 -0.0017879854 -0.0137738094 0.0031226387 0.0218888864 -0.0002656708 -0.0002670420 0.0000731885 0.0001445344 0.0047017841 -0.0013749013 -0.0043684462 0.0035922685 -0.0017454100 0.0003992717 0.0042263842 -0.0026661267 -0.0014228403 -0.0043104349 0.0013593550 0.0172356375 -0.0018477275 -0.0115088846 0.0196541853 0.0126714169 0.0091505212 0.0123833182 0.0064509599 0.0000899846 -0.0820767401 0.0140514033 0.0603700470 -0.0840722285 -0.0335701688 -0.0606366113 0.0007507714 -0.0081349354 0.0124788003 -0.0560897027 -0.0046530533 -0.0950105836 0.0500505326 0.0803681547 -0.0544762551 0.0029658628 -0.0024923918 -0.0154341140 0.0119186153 0.0753190100 0.0250863428 0.0602419993 -0.6156939093 0.2276473246 -0.2503829034 -0.3450826234 -0.5249818852 0.0049554300 0.0087108173 -0.0013355289 -0.0604096104 0.0218640150 0.0528872253 0.0214050501 -0.0404611093 0.0712076551 -0.0066306724 -0.0066032534 -0.0034636433 0.0483610804 0.0146478173 -0.0129897265 -0.0054620679 0.0261003454 -0.0292010759 0.0017263332 0.0007932221 0.0027075807 0.0178187086 -0.0040505746 -0.0040613727 -0.0164332669 -0.0105285391 -0.0041895918 0.0005575183 -0.0020885917 -0.0011972440 0.0078707766 0.0095673797 0.0167767251 -0.0114853996 0.0178142886 -0.0011122851 0.0022261678 -0.0025525884 0.0039859303 0.0001153930 -0.0030718505 0.0108671625 -0.0011283693 0.0116711122 -0.0038554546 0.0219239625 -0.0415431480 -0.0104658046 -0.0003822877 0.0014880922 -0.0039598142 -0.0190442046 0.0172539730 -0.0063444681 -0.0202358426 -0.0216128622 0.0489455332 0.0415946460 -0.0239128704 0.0192313112 -0.0024480168 0.0020144746 -0.0041840034 0.0271913460 0.0009033156 0.0206997781 0.0071260488 0.0110904567 -0.0090403024 -0.0023171450 0.0003553276 0.0144489041 -0.0145846497 -0.0733291528 -0.0812222368 0.0587881329 0.0365817674 -0.0701413292 -0.0011753508 -0.0001283946 0.0002905185 -0.0006056864 0.0006968458 0.0008549515 -0.0016399828 -0.0045265262 -0.0108774096 -0.0011639178 -0.0012601894 -0.0009402800 0.0009206489 0.0116671606 -0.0050033899 -0.0189336769 0.0193196974 0.0011928986 0.0090686593 0.0204310705 -0.0070111611 -0.0064873542 -0.0160570692 0.0049614095 0.0716031880 -0.0136853627 -0.0464217051 0.0827398619 0.0549505620 0.0387117630 0.0508000113 0.0206077087 0.0041764368 -0.3471411050 0.0814419371 0.2506711603 -0.3587387046 -0.1119797127 -0.2769371021 0.0111311125 -0.0359401824 0.0402623653 -0.2190498278 -0.0082608726 -0.3625431129 0.1919443750 0.3031149799 -0.2102930930 -0.0033066547 -0.0001183713 -0.0090886571 0.0075259284 -0.0253684810 -0.0110755775 -0.0632761336 0.1709392657 -0.0395348741 0.0616340144 0.0875591487 0.1460340357 0.0022024480 0.0012797715 0.0043043658 0.0135897755 -0.0097887604 -0.0180430427 -0.0317467901 -0.0039463405 -0.0245426821 -0.0013686783 0.0006914259 -0.0022083630 -0.0134370836 0.0046011708 0.0136311418 0.0114134739 -0.0106702102 0.0192533098 0.0000485040 0.0007466657 -0.0003230017 0.0015724764 -0.0014684239 -0.0004792181 -0.0015951849 0.0000098367 -0.0005129568 -0.0005264085 0.0007535857 0.0004579522 0.0032517864 -0.0020048713 -0.0082387358 0.0015247305 -0.0072464374 0.0016864685 0.0023727013 -0.0021434566 0.0035529988 0.0000157324 -0.0003613530 0.0073003365 -0.0127686973 0.0113724435 0.0040290795 0.0433739499 -0.0534354806 -0.0044299348 -0.0050186713 0.0105726447 -0.0115456746 -0.0502089429 0.0761265273 -0.0255453311 -0.0798236798 -0.0955039474 0.1757054570 0.1702539650 -0.0994307846 0.0809094114 0.0024752737 -0.0040778909 -0.0065760791 -0.0156261152 0.0311805707 0.0031073052 0.0020888875 -0.0159897272 -0.0024031925 -0.0093401141 0.0071595243 0.0101787317 0.0517418632 -0.1112819068 -0.0575872135 0.0684294867 0.0491262318 -0.0809682219 -0.0022738922 0.0002498178 -0.0022061518 0.0025626783 -0.0010908320 -0.0000350641 -0.0090396692 0.0093403474 0.0301291897 -0.0022980165 -0.0009706181 -0.0018055746 0.0050829527 -0.0172598881 -0.0021373797 0.0106746364 -0.0058966561 0.0176772229 0.0145858274 0.0012876160 0.0128896602 0.0109965425 0.0093559925 -0.0032379079 -0.0730333971 0.0094567784 0.0546098011 -0.0717794969 -0.0240013675 -0.0557702133 -0.0516807855 -0.0000528717 -0.0002926392 0.3081391294 -0.1173007899 -0.2055056260 0.2882648669 0.0862184340 0.2514236934 0.0039828294 -0.0118009565 0.0105460294 -0.0829448010 0.0259943018 -0.0927210481 0.0590628453 0.0648418041 -0.0574795423 0.0003078969 0.0042075737 0.0052657869 0.0021390904 -0.0053766024 -0.0046181252 -0.0222272079 0.0381456263 -0.0077004553 0.0091858074 0.0239306665 0.0397873585 0.0006207791 0.0003108682 -0.0001111128 -0.0043622174 0.0048124618 0.0099592539 -0.0050049746 -0.0117054189 0.0062934729 -0.0001182881 -0.0000920406 0.0013246307 0.0057479066 -0.0062316790 -0.0131640431 -0.0011708900 0.0118362896 -0.0093551866 -0.0007193366 -0.0008297183 0.0000513342 -0.0006326748 0.0085188509 -0.0032371997 0.0046335326 0.0050339778 0.0063004830 0.0000613095 0.0002369422 -0.0005941009 0.0030489985 0.0006926558 -0.0017324226 -0.0043809269 -0.0036065527 0.0023602128 0.0027481669 -0.0016747832 0.0063988879 0.0003528827 -0.0000959816 -0.0026469573 -0.0010095350 -0.0027453260 0.0015621629 -0.0006008454 0.0081894760 0.0025425939 -0.0047167949 0.0127895728 -0.0255360788 -0.1298453459 0.1146696901 -0.0388510323 -0.1287871625 -0.1142891341 0.3125180064 0.2575514740 -0.1326998899 0.1314213557 -0.0065398972 -0.0244061752 -0.0104215726 0.0381680590 0.1199259719 0.1335288164 0.0916444840 0.1110620278 -0.0794428649 -0.0286056978 0.0186045888 0.0330069321 0.1415447370 -0.3450440163 -0.1909856040 0.2203038719 0.1504266751 -0.2573858648 -0.0023253233 0.0001490925 -0.0061474204 0.0018099611 -0.0006720756 0.0017707655 -0.0185254049 0.0142348983 0.0536614499 0.0007282381 0.0010787186 -0.0014101493 -0.0075201959 -0.0074123257 0.0062413835 0.0056473372 -0.0002247777 0.0087443010 -0.0017109438 -0.0027600992 -0.0005267244 0.0028388415 -0.0015984733 0.0020006961 -0.0184429866 0.0193169253 0.0098232616 -0.0219307752 0.0035345990 -0.0232882343 -0.0105685050 0.0030118511 -0.0030722337 0.0695953846 -0.0519314043 -0.0397702816 0.0719107593 0.0090603705 0.0664765148 -0.0041480889 0.0050192783 0.0000211179 0.0152399014 -0.0217424122 -0.0021745203 0.0066775149 -0.0147911893 -0.0032253976 0.0043580635 -0.0103774036 0.0062833449 0.0044743326 -0.0003700407 0.0002633730 -0.0083916776 -0.0072310200 0.0099755541 -0.0012349045 -0.0106358905 -0.0136130574 -0.0007525124 -0.0003343231 -0.0013493629 -0.0011948118 0.0079244254 0.0115887125 0.0015274511 -0.0086645811 0.0092024424 0.0001620433 -0.0000881192 0.0024968764 0.0090787141 -0.0085202465 -0.0180901197 -0.0058412836 0.0145868496 -0.0150309196 -0.0002140945 -0.0007886235 -0.0003931801 -0.0030221590 0.0066984567 -0.0013939599 0.0029280198 0.0044562409 0.0063597304 -0.0002399788 0.0000550592 -0.0006006773 0.0050580281 0.0021380651 -0.0003833062 -0.0046788896 -0.0016274020 0.0018539767 0.0033677035 -0.0028730554 0.0064856903 0.0003078266 0.0014921685 -0.0032134469 -0.0096871157 0.0084217783 -0.0015814400 0.0195111803 -0.0181290528 -0.0063859701 -0.0005894581 -0.0081338713 -0.0163954834 -0.0063545033 0.1847922616 -0.0761513486 -0.0785375936 -0.1148556574 0.2024058104 0.1993625134 -0.0178546078 0.1894884874 0.0384099013 0.0687505716 0.0052668242 -0.1955257735 -0.3127886572 -0.4801671216 -0.3789270835 -0.4416561110 0.2796779406 0.0077854788 -0.0051761790 0.0014659257 -0.0577057133 0.0465414811 -0.0117699875 -0.0112087933 -0.0109767969 0.0234388149 -0.0081584784 0.0106197893 0.0169288818 0.0067608055 -0.0055680069 -0.0111871171 -0.0103714943 -0.0142376500 -0.0294137507 -0.0056301885 -0.0039096541 -0.0017097862 0.0257196977 -0.0122047191 -0.0193313882 -0.0032379007 0.0021031857 0.0134854052 0.0362000575 0.0150712663 0.0237776084 0.0110153076 0.0095276067 -0.0056595371 -0.0630820987 -0.0192531716 0.0564780357 -0.0485185004 -0.0106335994 -0.0462712746 -0.0446385985 0.0056993004 0.0062162465 0.2409079646 -0.0759596269 -0.1610738117 0.1994469622 0.0637026306 0.1934571171 0.0107607582 -0.0374759301 0.0520961681 -0.2943017051 0.0135109790 -0.4534026498 0.2598188283 0.3214951259 -0.2610135492 -0.0020866813 -0.0041459172 0.0006026190 0.0033205241 0.0005148870 0.0019388027 -0.0078700425 -0.0124134013 0.0132337435 -0.0024165961 -0.0143450350 -0.0193387754 0.0011323962 0.0009823659 0.0021618385 0.0046418312 -0.0079426477 -0.0134492797 -0.0072311369 0.0068849553 -0.0112829558 -0.0003227119 0.0008454531 -0.0049715023 -0.0188112793 0.0161163285 0.0336855274 0.0075763337 -0.0314323526 0.0283926093 0.0007376267 0.0018546158 0.0006194594 0.0065674913 -0.0179515890 0.0041390263 -0.0087371709 -0.0114741151 -0.0153907281 0.0001753444 0.0001420111 0.0012049964 -0.0070382121 -0.0030791999 0.0000260722 0.0084631727 0.0028601820 -0.0032337348 -0.0045090334 0.0032832119 -0.0111086336 0.0010143611 0.0002403785 0.0001038651 -0.0078311754 0.0090972996 -0.0000903651 0.0337553181 -0.0415849809 -0.0074657085 0.0093299567 0.0039299313 0.0163116578 -0.0272153649 -0.1495165531 0.0684980452 0.0756092057 0.1012112410 -0.1481420469 -0.1704456347 0.0019185985 -0.1769028391 0.0069706164 0.0061366619 0.0055025209 -0.0138273222 -0.0315908905 -0.0400632036 -0.0315116118 -0.0222477571 0.0241653928 0.0174355206 -0.0122459744 -0.0215240507 -0.0907856524 0.2231793731 0.1250010769 -0.1490725136 -0.0967554094 0.1608112712 0.0015568704 0.0016327428 0.0069826674 0.0001921907 0.0004117562 -0.0014197319 0.0078286788 -0.0159492193 -0.0474167876 0.0009307626 0.0001463804 0.0002760888 -0.0099776616 0.0023566424 0.0066161512 0.0047963918 -0.0040363689 0.0017567156 -0.0099423493 -0.0030025366 -0.0074349046 -0.0025327425 0.0012579673 -0.0005340874 0.0178996295 -0.0081995190 -0.0118844311 0.0158541975 -0.0019053744 0.0181641499 -0.0007622641 -0.0001890610 -0.0006004047 0.0054044923 -0.0055116598 -0.0031414373 0.0074704156 0.0040942453 0.0038044144 0.0007623932 0.0005632560 -0.0049264932 0.0197153597 0.0047423367 0.0385344722 -0.0252891371 -0.0213696076 0.0227655578 -0.0032077447 0.0046079966 0.0014455620 0.0001877184 0.0017426983 -0.0005560525 -0.0157545566 -0.0442717212 0.0241722232 -0.0243854825 -0.0216557557 -0.0261607478 0.0090135461 0.0069107295 0.0235828191 0.0695184428 -0.0809562643 -0.1448462650 -0.0729753588 0.0844712223 -0.1310179595 0.0023736619 0.0149674790 -0.0611563724 -0.2611458111 0.1831152885 0.4114043585 0.1154220688 -0.3817375635 0.3645831304 0.0037251006 0.0353718641 0.0172320178 0.1173700334 -0.3207453149 0.0782417256 -0.1229489778 -0.1959150510 -0.2908626007 0.0071526243 -0.0011991798 0.0157224861 -0.1330462894 -0.0489259443 0.0256616555 0.1324325704 0.0631191514 -0.0581233598 -0.0853163310 0.0713081395 -0.1862870779 0.0003070213 -0.0000658114 -0.0010854834 0.0041966223 -0.0041064200 -0.0003182654 -0.0055004534 0.0102002304 0.0023356732 -0.0010782392 -0.0001011158 -0.0029335045 -0.0020851819 0.0249016341 -0.0105327649 -0.0146706804 -0.0186539136 0.0321868972 0.0329664894 -0.0060779796 0.0282139085 0.0000759742 0.0012637242 -0.0010648758 -0.0023103174 -0.0034451534 -0.0067275197 -0.0050324775 -0.0097971369 0.0038029423 -0.0006300228 0.0009877009 0.0017410446 0.0020196805 -0.0120709897 -0.0103139977 0.0101284956 0.0054102596 -0.0068811057 -0.0011519696 -0.0009503277 -0.0013186556 0.0002783984 0.0000028512 0.0000452063 0.0032021341 0.0059825750 0.0081351593 -0.0002679520 -0.0001576307 -0.0003735540 0.0017936302 -0.0044544010 -0.0004836790 -0.0020607219 0.0039325136 0.0045628254 0.0052283286 0.0047042334 0.0014164497 0.0008074267 -0.0005830222 -0.0000449321 -0.0066591254 0.0036052326 0.0036452192 -0.0051369462 0.0000896659 -0.0058578191 0.0003675672 -0.0000438759 0.0001430607 -0.0013948960 0.0020877200 0.0006704193 -0.0020310909 -0.0019157230 -0.0008955360 -0.0005155689 0.0005637566 0.0008286856 -0.0015638447 -0.0019984097 -0.0052861200 0.0041273850 0.0013834279 -0.0031661376 0.0013091991 -0.0017931895 -0.0004442616 0.0032808690 -0.0034009474 0.0005058013 0.0110718699 0.0338292801 -0.0163101263 -0.0008485533 0.0120332507 0.0269530508 -0.0115394313 -0.0095096950 -0.0107446655 0.0284572365 0.0460158054 0.0473769093 0.0262907115 -0.0113000732 0.0266511439 0.0078753483 0.0024399062 0.0279938107 0.0600026996 -0.0955463348 -0.1756426010 -0.0333009606 0.1618731267 -0.1342514541 -0.0274267382 0.0492260772 0.0254753357 0.1898201438 -0.4602658553 0.0894029351 -0.1111699142 -0.2347130599 -0.4122841124 -0.0070775268 -0.0167529030 -0.0272802955 0.2931862000 0.2321421830 0.2289435853 -0.2192199981 0.2621840858 -0.0037881339 0.1842976432 -0.2083317982 0.1232403444 -0.0002929447 0.0001025003 0.0003287332 -0.0019489391 0.0015704912 0.0006881539 0.0012646164 -0.0035539473 -0.0001943957 0.0002049376 -0.0003238533 0.0008688019 0.0032844082 -0.0064482285 0.0023192371 0.0050421509 0.0059985087 -0.0115794943 -0.0108873791 0.0045357432 -0.0067232655 0.0003196835 -0.0001802323 0.0006842083 -0.0012610082 -0.0008951847 -0.0012472999 -0.0013355177 0.0013199988 0.0007001711 -0.0008726944 0.0003845553 0.0002799876 0.0044941214 -0.0072713579 -0.0023429498 0.0045980521 0.0030016576 -0.0049763049 0.0002610173 0.0001354803 0.0002778279 -0.0000953375 0.0000241706 0.0000309438 -0.0005350494 -0.0009412687 -0.0010997541 0.0008902804 0.0025549384 0.0082095861 0.0095047966 0.0755944498 -0.0187353734 0.0198773182 -0.0623430371 -0.0996981534 -0.0636518395 -0.0749630758 -0.0009906123 -0.0060408243 0.0069962134 -0.0002683955 0.0577086098 -0.0450788691 -0.0266582633 0.0481691694 -0.0020825980 0.0546253875 -0.0019933600 0.0004435615 -0.0002121569 -0.0014027134 0.0012541718 -0.0011176247 0.0006431384 0.0045700990 0.0014290293 0.0036332039 -0.0080245555 0.0056950315 -0.0385722563 0.0170853619 -0.0374782636 0.0161667627 0.0397271805 -0.0187313836 -0.0007006976 0.0090292711 -0.0164571819 0.0046523062 -0.0053600432 -0.0063908695 -0.0363642196 0.0242226388 0.0026602275 -0.0014396857 0.0168542323 0.0343206575 0.0024325845 0.0026290496 0.0037854103 -0.0011019657 -0.0057428004 -0.0065061892 -0.0193656447 -0.0078937440 -0.0068498312 -0.0016216380 -0.0004032668 -0.0033685652 -0.0068622371 0.0082876125 0.0146239983 0.0104442743 -0.0092737995 0.0150247346 0.0003028782 0.0000587593 -0.0000197824 0.0021046787 0.0056633171 -0.0030754670 -0.0009510911 0.0024185145 0.0048859378 0.0000075578 0.0007587046 0.0000642063 0.0000858110 -0.0040120968 -0.0093203380 -0.0015175761 -0.0112040208 0.0038336447 0.0006347534 0.0015151965 0.0074598862 -0.0010219736 -0.0032825778 0.0105877605 -0.0004505302 -0.0000473173 0.0038622648 0.0043084110 -0.0120526283 0.0036429266 0.0072894347 -0.0221382499 0.0239602961 0.1147058007 -0.1385681928 0.0435120244 0.1578838134 0.2000607899 -0.3405474238 -0.3330267543 0.1859212917 -0.1570329349 0.0232882244 0.0159023939 0.0274641259 -0.0976343353 -0.1266184428 -0.1864169794 -0.1631206731 -0.0745985190 0.1089461690 -0.0445792553 0.0246746268 0.0290959387 0.1961882059 -0.4140257604 -0.1977299002 0.3162276449 0.1754502580 -0.2526457397 -0.0018394644 -0.0055824098 -0.0119142588 0.0006907615 -0.0003129303 0.0040614350 -0.0090063739 0.0309980898 0.0799256011 0.0139164471 0.0158975410 0.0372904156 -0.0307689491 0.3748529952 -0.0384637854 0.1307407137 -0.3194409875 -0.4619789072 -0.3729619247 -0.3888635573 -0.0540080304 -0.0223584833 0.0328205830 0.0017690837 0.2313182417 -0.1794295769 -0.1021112571 0.1799643771 -0.0113858036 0.2136633968 -0.0113707662 -0.0050791520 -0.0006428254 0.0383915796 -0.0385906634 -0.0225732244 0.0548087923 0.0481082652 0.0307859903 0.0001160725 -0.0015619033 0.0001540474 -0.0110518149 0.0035679706 -0.0142392932 0.0066658234 0.0110318388 -0.0087882796 0.0030866702 -0.0051588619 -0.0025100756 0.0023235472 -0.0010206278 0.0002913230 -0.0051004985 0.0000294960 0.0043664307 0.0028104064 -0.0044839862 -0.0057952933 -0.0001729473 -0.0000154789 0.0015078097 0.0057159495 -0.0046986580 -0.0088671713 -0.0030012608 0.0065932407 -0.0078471746 -0.0004599752 -0.0006138710 0.0012057628 0.0060218061 -0.0034702554 -0.0087327822 -0.0020266399 0.0087908743 -0.0077194697 -0.0006458704 -0.0005846808 -0.0007542585 0.0001909067 0.0051304997 -0.0031999554 0.0012259786 0.0043986808 0.0062716763 -0.0010925312 -0.0001635699 -0.0015692381 0.0213318124 0.0108813787 0.0026516328 -0.0163999490 0.0025272113 0.0047597190 0.0134257776 -0.0136075882 0.0180814886 -0.0001051022 0.0003953716 0.0019267278 -0.0057985992 0.0074319654 -0.0004484071 0.0154615348 -0.0206698574 -0.0045160197 -0.0004126475 0.0050593408 -0.0053868524 -0.0406846756 0.0253955581 -0.0056972855 -0.0341631476 -0.0358230585 0.0820778044 0.0698234119 -0.0466818292 0.0247159423 -0.0034425943 -0.0029457812 -0.0054334505 0.0160170775 0.0251182798 0.0328064855 0.0284531790 0.0117758136 -0.0192507862 0.0085926226 -0.0048623269 -0.0058581211 -0.0379130806 0.0808740652 0.0390445718 -0.0622152117 -0.0341258108 0.0485601947 -0.0002536316 0.0017491189 0.0036128775 0.0006157077 -0.0002467830 -0.0015617494 -0.0001861968 -0.0077747111 -0.0163619888 -0.0243492454 0.0134945706 0.0214259275 0.4218247753 0.1347674335 -0.3042650657 -0.1168830870 -0.0558439417 -0.4414729436 0.1396196477 -0.1865904399 0.2984095871 0.0294352504 -0.0308967741 0.0324753169 -0.2632416977 0.1869889837 0.1637826294 -0.2880902239 0.0807234721 -0.3200911052 0.0133716813 0.0082732839 -0.0025606306 -0.0548609080 -0.0180746823 0.0540692599 -0.0501458598 -0.0107381262 -0.0459273576 0.0006628401 -0.0020094385 -0.0044267300 0.0127042890 -0.0036329403 0.0167428954 -0.0171323355 0.0064313936 0.0079684168 -0.0023079858 0.0014210051 0.0048239735 -0.0013778013 0.0002847400 0.0002495013 0.0072494505 0.0027483359 -0.0052914712 -0.0002861803 0.0027852656 0.0037912866 -0.0002976409 -0.0004049056 -0.0052253029 -0.0146720577 0.0183321379 0.0309268091 0.0071159586 -0.0239596789 0.0255741026 0.0004565808 0.0005170610 0.0019835762 0.0046881150 -0.0060271405 -0.0109366055 -0.0032810468 0.0089167787 -0.0080845230 0.0014697526 0.0038232382 0.0031165910 0.0036237586 -0.0311607217 0.0145053440 -0.0085208604 -0.0206484694 -0.0319643070 0.0032138903 -0.0002095653 0.0036304490 -0.0552900918 -0.0261315921 -0.0014992952 0.0419548767 -0.0007648418 -0.0140782291 -0.0353607518 0.0357793051 -0.0487058858 0.0002120726 0.0002330071 -0.0027710828 0.0027818054 -0.0035610837 -0.0001126560 -0.0079770740 0.0120409857 0.0018690761 -0.0004305986 -0.0000419984 0.0000411114 0.0051399846 0.0030071616 -0.0016593503 -0.0005334012 -0.0033600198 -0.0015499964 0.0021248022 0.0015092422 0.0040524909 -0.0004388017 -0.0001407508 -0.0002521344 0.0011642231 0.0008039143 0.0018869871 0.0016762674 0.0005827942 -0.0010434952 0.0000846558 0.0000113526 0.0001235835 -0.0002796067 0.0000240176 -0.0002550860 -0.0001998115 0.0000124823 -0.0001207911 0.0003601412 -0.0001839951 -0.0004705179 -0.0003493798 0.0001280017 0.0002954705 0.0005426093 0.0003319294 -0.0001004708 0.0049109629 -0.0003158600 -0.0017366834 -0.0687919063 0.0007105440 0.0458391091 0.0283630266 -0.0114413289 0.0408245995 -0.0451427819 0.0023965591 -0.0486755152 -0.0014449761 0.0047060481 -0.0036658169 0.0260732198 -0.0238861020 -0.0131997541 0.0289602543 -0.0108914826 0.0329505870 -0.0013381968 -0.0015262433 0.0009701440 0.0005077454 0.0054099018 -0.0026172399 -0.0008077926 0.0025318307 -0.0009605126 0.0007674831 -0.0011735956 0.0011695618 -0.0101057975 0.0023773652 -0.0139299308 0.0101579369 0.0068609350 -0.0089480777 -0.0003292262 0.0011663506 0.0032824355 0.0017940618 -0.0031151157 -0.0018550919 0.0073744527 0.0259156556 -0.0156107713 0.0013447778 0.0128630598 0.0250581714 -0.0020722916 -0.0018382860 -0.0194347442 -0.0535108790 0.0750903467 0.1244504867 0.0046364045 -0.1089733808 0.0950467856 -0.0090828040 -0.0087920158 0.0368440577 0.1637169653 -0.1051869698 -0.2433545274 -0.0494407433 0.2430607973 -0.1995197494 0.0135050047 0.0279087819 0.0242272915 0.0169772555 -0.1989251045 0.1057497241 -0.0601535686 -0.1370621339 -0.2097026875 0.0250782395 -0.0035515860 0.0262849546 -0.4210029030 -0.2003489129 -0.0102515655 0.3172585443 -0.0074955164 -0.1070598990 -0.2739531415 0.2786058219 -0.3633475724 -0.0000480843 0.0002048785 -0.0020327711 0.0004563465 -0.0017862593 0.0008291118 -0.0068388898 0.0075224189 0.0020538051 0.0004641878 -0.0001422911 0.0005510881 -0.0022985353 -0.0046920415 0.0023210592 0.0029483663 0.0052185015 -0.0046289706 -0.0071088219 0.0006773244 -0.0067629522 0.0003628258 0.0001091373 0.0003184370 -0.0008025387 -0.0009446583 -0.0014963301 -0.0014669105 -0.0003124424 0.0009813334 -0.0004531876 0.0000831797 0.0001331264 0.0016481224 -0.0033151244 -0.0014422121 0.0020335201 0.0012861429 -0.0022312371 0.0004025829 0.0000714232 0.0001702798 -0.0001394196 0.0000284494 0.0000940515 -0.0007751002 -0.0012993446 -0.0014812289 -0.0346201554 -0.0182732980 0.0099694402 0.3741999368 -0.0771612542 -0.2359967675 -0.2201336386 0.1579264623 -0.0813245484 0.3425137572 0.1553090113 0.2345406249 -0.0624711832 0.0022465086 -0.0066955190 0.3121990278 -0.1309284866 -0.2207348710 0.2967851100 0.0334286079 0.2990623078 -0.0057950526 0.0091197424 -0.0067992974 0.0659183786 -0.0387490336 -0.0401492625 0.0735968072 0.0050800951 0.0645748506 -0.0034776825 0.0009594062 0.0005459977 0.0209182804 -0.0155626230 0.0221658126 -0.0110478866 -0.0151995822 0.0118768888 0.0023519588 -0.0027919734 -0.0086168799 0.0023204191 0.0009352300 0.0006730727 -0.0167490723 -0.0161410670 0.0175504836 0.0019641789 -0.0110757630 -0.0187846360 -0.0005281507 0.0004235970 0.0314532403 0.0997340167 -0.1174552019 -0.2012764658 -0.0532026222 0.1502390323 -0.1706130261 -0.0121158556 -0.0116216239 0.0104758494 0.0807534127 -0.0226856835 -0.0759148177 -0.0038696806 0.0986038124 -0.0693029412 0.0034084832 0.0045503374 0.0032845625 0.0055604729 -0.0076209077 0.0074068069 -0.0060405748 -0.0093600048 -0.0141201134 0.0033297175 0.0001487915 -0.0005369958 -0.0347674909 -0.0204275497 -0.0099984423 0.0083689400 -0.0220537827 0.0027005343 -0.0214212309 0.0303488998 -0.0012672341 0.0000368738 -0.0005148006 0.0054796461 -0.0037777783 0.0061198751 -0.0004911642 0.0122523691 -0.0205285291 -0.0038621814 0.0008672104 0.0006420726 -0.0017263307 -0.0206348945 0.0051781076 0.0000666845 -0.0075381062 -0.0018336473 0.0254214366 0.0138194829 -0.0114615965 0.0018578280 0.0005298752 0.0001685015 -0.0005497030 -0.0010512125 0.0010474716 -0.0014202936 -0.0013986470 -0.0022649008 0.0005804529 0.0005960579 -0.0000958449 -0.0004464829 -0.0031276643 0.0065276979 0.0028352056 -0.0039913317 -0.0026988177 0.0053301755 -0.0005686132 -0.0003004367 -0.0001790456 0.0003152786 -0.0000581317 -0.0001942796 -0.0000342960 0.0011176024 0.0034127262 0.0136686200 0.0082492985 -0.0045007987 -0.1435547607 0.0289318370 0.0904103273 0.0879085973 -0.0630191532 0.0282727302 -0.1330262417 -0.0665489519 -0.0868360836 0.0293782315 -0.0035766478 0.0047490384 -0.1566227141 0.0732771639 0.1074422271 -0.1511400813 -0.0099446165 -0.1546421255 0.0029360487 -0.0029733989 0.0013855476 -0.0232173757 0.0105528910 0.0145434958 -0.0238192163 -0.0118658382 -0.0160138777 -0.0028651213 0.0053398627 0.0018427979 0.0054100098 -0.0061706181 -0.0024311897 0.0010374781 -0.0042430894 0.0020744338 0.0065821778 -0.0118781868 -0.0142431058 0.0056382708 0.0019755284 0.0024299425 -0.0424285539 -0.0378996256 0.0441205168 0.0099138818 -0.0284583134 -0.0499263673 -0.0010132912 0.0010330122 0.0762740508 0.2415077164 -0.2861840614 -0.4895038660 -0.1232041919 0.3683935988 -0.4125685106 -0.0268438540 -0.0255422446 0.0181044223 0.1594446434 -0.0347411284 -0.1338751951 -0.0012979841 0.1859898190 -0.1263744833 0.0070140879 0.0094120704 0.0055225843 0.0146100706 -0.0084571966 0.0094489938 -0.0113814338 -0.0143724258 -0.0219132621 0.0061400448 0.0024301846 -0.0042722543 -0.0465957649 -0.0360943308 -0.0355882587 -0.0160388004 -0.0712468106 0.0243633049 -0.0241998139 0.0500502764 0.0447189643 -0.0005556465 -0.0006842188 0.0100751127 -0.0119022621 0.0179939756 -0.0021414029 0.0395774162 -0.0554304128 -0.0126443129 -0.0017644251 -0.0002878181 0.0004777663 0.0252416220 0.0025197633 -0.0043574097 0.0018128720 -0.0081861028 -0.0166239733 -0.0003655925 0.0115154263 0.0119395161 -0.0014204653 -0.0009462105 0.0004553766 0.0016090129 0.0021506892 0.0055497431 0.0061210515 0.0049302802 -0.0034316367 -0.0003498212 0.0003468971 0.0001463394 0.0072970748 -0.0074834398 0.0000151651 0.0043370933 0.0029075824 -0.0062018646 -0.0008121183 0.0008559864 0.0012333269 0.0008839784 -0.0003623064 -0.0007589947 -0.0045082678 -0.0032251867 0.0007649731 0.0003485152 0.0003592692 -0.0000268181 -0.0033762002 0.0027364351 0.0016732323 0.0030208586 -0.0033981484 -0.0020229825 -0.0049340147 -0.0042751295 -0.0017193798 0.0009412998 -0.0001664117 0.0003677084 -0.0041575641 0.0018379927 0.0033312163 -0.0043612722 0.0007780397 -0.0049831809 -0.0000995146 0.0002775914 0.0002235038 -0.0023702694 -0.0000178043 0.0018457225 -0.0031149625 0.0019743827 -0.0034400123 0.0020830882 -0.0029913862 -0.0006666527 -0.0065046198 0.0066949674 -0.0013996337 -0.0007769574 0.0064882006 -0.0012664606 -0.0041420691 0.0064244629 0.0025807691 -0.0012860756 -0.0002121155 -0.0024073405 -0.0116103222 -0.0069707698 0.0055849726 -0.0003952908 0.0021837367 0.0019029988 0.0025199945 0.0036635144 0.0144065966 0.0238940400 -0.0511252342 -0.0790206637 -0.0492998637 0.0362097519 -0.0651835901 0.0034401574 0.0027092718 -0.0010050660 0.0187241509 0.0080034010 -0.0027233697 -0.0134365361 -0.0059009288 -0.0128832777 -0.0162156609 -0.0450745953 0.0022821064 -0.0378027959 0.2188622133 -0.0788897686 0.1396882453 0.1000744841 0.1448761448 -0.0146629226 -0.0410091703 0.0172323851 0.0582422014 0.1949002167 0.4101556412 0.1843141681 0.5939652376 -0.2356441359 -0.0199275655 -0.1294304257 -0.4478973911 0.0004841457 -0.0002226907 -0.0016386433 0.0051732347 -0.0067011697 -0.0000571284 -0.0104839578 0.0160892077 0.0034650569 0.0001850676 -0.0003622673 0.0000745028 -0.0011077854 0.0011030961 -0.0002537992 0.0005439189 0.0017524370 0.0002659030 -0.0012755090 0.0008019830 -0.0004686612 0.0005068045 0.0005711537 0.0002083852 -0.0020794442 -0.0025364962 -0.0044939731 -0.0035957360 -0.0034817068 0.0026140964 -0.0006410137 0.0006033844 0.0004631755 0.0019720713 -0.0049247483 -0.0030738790 0.0051362933 0.0019457510 -0.0006036327 -0.0001486692 -0.0010477552 -0.0016747322 -0.0001725644 0.0001772801 0.0005874283 0.0020533010 0.0041260980 0.0059012234 -0.0013554448 -0.0004407601 -0.0006806823 0.0199069288 -0.0178526609 -0.0097812132 -0.0123301312 0.0163981129 0.0075528773 0.0264530787 0.0148338257 0.0144946067 0.0001234478 -0.0030091020 0.0011880538 -0.0149572641 0.0222157797 0.0023122231 -0.0179273827 0.0041374008 -0.0195852550 0.0009288166 -0.0007499047 -0.0073196589 0.0431987938 -0.0311897712 -0.0268369966 0.0621210033 -0.0575048499 0.0833626408 -0.0445152395 0.0606199246 0.0224277512 0.1075493486 -0.1493343743 -0.0249405364 0.0439181814 -0.0962435894 0.0003332038 0.0955361543 -0.1567130309 -0.0846212836 0.0629748161 -0.0438835481 -0.0161604848 -0.1957409667 0.0898888180 0.0762212907 0.0777966377 -0.0425274158 -0.0213453927 0.0079188646 0.0099738077 -0.0046852340 -0.0540997607 0.0570101175 0.1020150971 -0.0596334144 -0.1374527928 0.0796465073 0.0008793816 0.0049025043 -0.0087826464 -0.0336636477 0.0169281924 0.0357135271 0.0019728688 -0.0514349652 0.0359406652 -0.0015033234 -0.0036181116 0.0005526173 0.0047067534 0.0084794804 -0.0079531125 0.0056285916 0.0010994400 0.0043226330 -0.0011367515 -0.0022754216 0.0037908085 -0.0040675624 0.0095195719 0.0277483390 0.0319205276 0.0485622871 -0.0242451109 -0.0058702130 -0.0087928680 -0.0535880727 -0.0089862736 0.0030400868 0.0574900135 -0.1460731149 0.1973280030 -0.0005522059 0.3613857908 -0.4794904705 -0.0993247448 -0.0267818192 -0.0019167700 0.0030284637 0.3670884696 0.0579844889 -0.0729691290 0.0074912201 -0.1506371205 -0.2029563748 0.0397208703 0.1586355468 0.2082890079 -0.0221107316 -0.0121290952 0.0012124174 0.0399146411 0.0224071638 0.0856822243 0.0831043100 0.0650326748 -0.0515988280 0.0052639039 -0.0044044670 -0.0026341674 0.0361195438 -0.0118846692 0.0258777250 -0.0295753379 0.0035113170 -0.0517742888 -0.0025574248 0.0195163603 0.0294599000 0.0086712170 -0.0052727920 -0.0130405579 -0.0649765175 -0.0793802188 -0.0686845386 -0.0005476420 -0.0003600990 0.0007462741 0.0035813089 0.0086894858 -0.0040080645 -0.0011094898 -0.0041178639 -0.0094949535 -0.0024792310 -0.0046260665 0.0015569620 -0.0016002115 0.0010235822 0.0017696428 0.0242605470 -0.0042771735 -0.0134346337 0.0152897085 0.0010931961 0.0173273070 -0.0096519103 0.0058718315 -0.0008237390 0.0350433543 -0.0595689693 -0.0094409989 0.0318455106 0.0288587518 0.0208523956 0.0139886645 -0.0237917728 0.0020260206 -0.0834390464 0.0347135757 -0.0827098098 0.0333318204 0.0884807881 -0.0503584405 -0.0288270442 0.0418409404 0.0261939840 -0.0172848221 0.0117374308 0.0050762244 0.0537586004 -0.0232661354 -0.0204001807 -0.0173546268 0.0107741931 0.0028666311 -0.0018149135 -0.0028575743 -0.0008940116 0.0060811456 -0.0080772034 -0.0135792069 0.0205669381 0.0275121820 -0.0096922964 0.0003639012 -0.0008250390 0.0023838682 0.0077536893 -0.0048253899 -0.0095979457 -0.0025497474 0.0118190792 -0.0100776621 0.0002335877 0.0005296816 -0.0002652377 -0.0018389552 -0.0009970776 0.0015698307 -0.0008949177 0.0004498794 0.0001983871 0.0002597936 0.0004828312 -0.0008134872 0.0010965558 -0.0017875053 -0.0056556475 -0.0072260829 -0.0100561273 0.0052975978 0.0013941838 0.0015639052 0.0113507651 0.0033130673 -0.0005253770 -0.0175692665 0.0386721360 -0.0524595714 -0.0003116467 -0.0916807714 0.1243514256 0.0251157392 -0.0468768702 -0.0104175327 0.0035640780 0.6430956513 0.1783132950 -0.1568499346 -0.0004090808 -0.2768617293 -0.3088826762 0.1093796057 0.2849308910 0.4155320403 -0.0300877452 -0.0035965440 -0.0012026928 0.0469219821 -0.0251100519 0.0548138448 0.0658861101 0.0186189677 -0.0338674202 0.0074083373 -0.0000866956 0.0014059674 0.0051685662 0.0134446392 0.0142936016 -0.0194997763 -0.0077199543 0.0070496715 0.0046412749 -0.0050803518 -0.0123028602 -0.0061066411 0.0028078771 0.0073764046 0.0152173889 0.0137791806 0.0058385227 0.0025332166 0.0002753057 -0.0024421780 -0.0023427343 0.0042543106 -0.0002909619 -0.0051874507 0.0061110196 -0.0058740110 0.0016718157 -0.0120198649 0.0073309897 -0.0077641609 -0.0025573263 0.0000591790 0.0264040217 -0.0220074037 -0.0147539081 0.0467208357 0.0613707598 0.0105304006 0.0077968745 -0.0011863187 0.0073217325 -0.0337771442 0.0312445863 0.0338759683 -0.0495169937 0.0114693423 -0.0489562617 -0.0113806785 0.0179218006 -0.0173884769 0.1126367137 -0.1846794863 -0.1214490420 0.0978150466 -0.0594018627 -0.0857008996 0.0030099569 -0.0716370214 0.2885421130 0.0044982848 0.0035040077 0.0059321158 0.0120386800 -0.0094842697 0.0156336993 0.0078976183 -0.0216411656 -0.0379944817 -0.0041239633 -0.0058197060 0.0030587875 0.0668297308 -0.0049952425 -0.0303216095 0.0072439461 0.0429409444 -0.0362710580 0.0007103078 0.0025280306 0.0000934741 -0.0096115330 -0.0067092828 -0.0050676004 -0.0011558311 -0.0051092113 0.0039650793 0.0000753498 -0.0005472427 -0.0005246350 -0.0035877612 0.0032042022 0.0007513113 0.0034630427 0.0024650227 0.0032142266 -0.0002162780 0.0002061854 -0.0001562556 0.0004330732 0.0001093213 -0.0003292666 0.0001858662 -0.0016319961 0.0003482274 0.0007426445 -0.0003320134 0.0011044454 -0.0020051620 0.0385867511 -0.1657451117 -0.0228482017 -0.0114212288 -0.0423355529 -0.0681696718 0.1672583149 -0.0224900338 0.0016862484 0.0045750863 0.0059772070 0.0459724187 -0.1157734753 0.0396754853 0.0314693443 0.0060227458 -0.1036079980 -0.0855582362 0.0169443183 -0.0707220629 -0.0172409940 0.0021614920 0.0086822093 0.0512570551 0.0069731422 0.0936344756 0.1241958853 0.0385183484 -0.0367514280 0.0150340454 -0.0308220933 -0.0093750157 0.0022543481 -0.1355698082 -0.1413825861 -0.0073905531 0.0542416453 -0.3161362458 -0.2132195223 0.1986370829 0.3536498024 0.1676854435 -0.1053571347 -0.2015908249 -0.1275024698 -0.0740359390 -0.4592062792 -0.0021610115 -0.0004829082 0.0033039375 0.0042979419 -0.0057728450 0.0007560653 0.0005544624 -0.0019925634 0.0060134348 -0.0002468250 0.0166062573 -0.0101004882 0.0066937406 0.0026997144 0.0002705968 -0.0366977342 0.0294700863 0.0157952161 -0.0653508322 -0.0846768991 -0.0107860718 0.0037366475 0.0107056261 -0.0212378385 0.0286150692 -0.0536599608 -0.0323361306 0.0679848742 -0.0645316048 0.0784746801 0.0195272559 -0.0436161970 0.0317583360 -0.0082525811 0.0795350020 0.1112440609 -0.1736573187 0.1097882988 0.1346150898 -0.0866081792 0.2608289089 -0.5375225050 -0.0038450308 0.0115681977 -0.0165172676 -0.0239685211 0.0404924024 -0.0401073723 -0.0739368714 0.0787956026 0.1410408664 0.0021460037 0.0061096464 -0.0037946724 -0.0973350005 -0.0010902742 0.0299338510 -0.0142349801 -0.0592700361 0.0397701372 -0.0029368693 -0.0047707130 0.0004705765 0.0108166919 0.0097670805 0.0148532996 0.0309480809 0.0224387380 0.0106242110 0.0004783002 0.0023064396 0.0003936185 -0.0008139623 -0.0045330243 0.0053443176 -0.0072017515 -0.0006891591 -0.0034329698 -0.0009037197 -0.0017944352 0.0003614130 0.0025390058 0.0001769994 0.0011951682 0.0044744112 0.0054538180 -0.0040682980 -0.0034665022 0.0036678754 -0.0016458492 0.0120189424 -0.0889053045 0.3116951028 0.0815855870 -0.1392214771 0.0728704709 -0.0560416164 -0.1338534591 0.1083373560 -0.0022863103 0.0062925262 -0.0046242831 0.0269528864 -0.0264943477 0.0051204931 -0.0162510968 -0.0579276768 0.0047551136 0.0481764053 -0.0113980943 0.0316712492 -0.0144664226 0.0070471609 0.0077631804 0.0237990047 -0.0072846038 0.0414759749 0.0997160599 -0.0065708776 -0.0183546724 0.0272355646 -0.0185290144 -0.0215330315 -0.0457286472 0.0656510224 0.0262288651 -0.0625814445 -0.0184023751 -0.0705593365 -0.2185906123 0.1275452252 0.2576548607 0.1503926368 -0.0846780108 -0.1634820886 0.0263024877 0.1320542768 -0.2249801095 0.0000405369 0.0000783277 -0.0000141843 0.0000892303 0.0000113447 0.0002140664 -0.0007015496 -0.0005043919 0.0002146639 0.0002716879 -0.0002307346 -0.0003231924 0.0000644591 0.0000209755 0.0000423710 -0.0006151087 -0.0001743352 -0.0008574829 -0.0003978825 0.0001317850 0.0002962559 0.0000838159 0.0000552733 -0.0000311652 -0.0002221334 -0.0004052154 -0.0002314015 -0.0000898682 -0.0000070580 0.0002529842 -0.0012156298 -0.0012636354 0.0012103908 0.0191233748 0.0103167048 -0.0119816749 -0.0034423331 -0.0010164360 -0.0040986477 -0.0004347258 -0.0002042537 0.0001156775 -0.0000073218 -0.0016723153 0.0004453490 0.0032863179 0.0019062565 0.0034501263 -0.0012472652 0.0165552976 -0.0107490691 0.0003668277 -0.0003200020 0.0000544203 -0.0019546914 0.0011738533 -0.0006899610 0.0003242076 0.0002879802 -0.0001270887 0.0000498981 -0.0001859328 0.0001418156 -0.0007322967 0.0023057817 -0.0015846833 -0.0003688390 -0.0002166573 -0.0003834177 0.0000118285 -0.0000593684 -0.0000188552 0.0000461815 0.0000816714 0.0002521759 -0.0002351647 0.0003588614 -0.0001601024 0.0000068546 -0.0000243383 0.0000101931 -0.0000854817 0.0002913393 -0.0001320639 0.0000292213 0.0000326744 0.0000149832 0.0000587772 0.0000186166 -0.0000135124 0.0002089233 0.0000650046 0.0000544245 0.0013195758 0.0000560881 0.0009510625 0.0003550803 0.0008460206 -0.0069745256 -0.0003628241 0.0003080291 -0.0002990149 0.0014596252 -0.0018084393 0.0019158494 0.0053686632 -0.0012571182 0.0005948467 -0.0016506015 -0.0014227473 0.0007969639 0.0001542008 -0.0008297181 -0.0001198006 0.0026557563 0.0036185989 -0.0013866272 -0.0004699898 0.0030541855 0.0052346865 0.0021253918 -0.0045278157 -0.0015483299 -0.0082749949 -0.0106721541 -0.0000085302 -0.0157392281 0.0745250784 0.0155064383 -0.0543181302 0.0583823507 -0.0264988652 -0.0014017327 0.0008323833 0.0025307571 0.6426173189 -0.7051657324 0.2742550971 -0.0001158572 0.0003064300 -0.0000704052 0.0016183427 0.0007145926 0.0025218375 -0.0027187964 -0.0023831013 0.0009590386 0.0024718321 -0.0017952231 -0.0026879095 0.0000179157 0.0000025497 -0.0000197678 -0.0001177667 -0.0000724770 -0.0000609973 -0.0002105358 -0.0000002527 0.0001754294 -0.0002031844 0.0000806085 -0.0000211862 0.0012362334 0.0005120230 0.0016208366 0.0010265176 -0.0005163242 -0.0011421757 -0.0011029818 -0.0012954306 0.0022130360 0.0248585878 0.0194317254 -0.0130335509 -0.0117629018 -0.0040416688 -0.0137295837 0.0003873633 -0.0004056725 0.0009869979 -0.0014170706 0.0680766480 -0.0031077246 -0.1983439648 -0.1184622386 -0.3801617301 0.2139220123 -0.6939753355 0.4212267981 0.0104062546 -0.0106950914 -0.0149250211 0.0129713747 -0.0292684200 0.0144426287 -0.1451801466 0.1599932875 0.1599207892 0.0000129200 -0.0030847200 0.0050516410 -0.0223550117 0.0571346913 -0.0325211712 0.0256452825 -0.0218888314 -0.0270074135 -0.0000998386 0.0001475589 -0.0004719626 0.0016063495 0.0012605393 0.0039358100 0.0008647345 -0.0044944996 0.0020013179 0.0001651003 0.0004841077 0.0011217135 0.0014605735 -0.0040146757 0.0022209958 -0.0068250060 -0.0040008865 -0.0152122896 0.0037730837 0.0033419625 0.0001549345 -0.0000981664 -0.0000386289 -0.0004442453 0.0001665901 0.0000906001 0.0018470325 -0.0037121518 0.0025978067 -0.0273532681 -0.0003686613 0.0001762755 -0.0002037802 0.0000308257 0.0001654421 0.0000465341 0.0056353794 -0.0013129076 0.0015432242 -0.0010494924 -0.0008417531 0.0010610682 0.0014390913 0.0016499521 0.0019211941 -0.0093518132 -0.0079720915 0.0115119398 -0.0085080485 -0.0118891885 -0.0348513314 0.0025611097 -0.0053173226 -0.0034037239 -0.0143764515 -0.0149270022 0.0125288671 -0.0142908265 0.0770233288 0.0248741253 0.0001304324 0.0011485748 -0.0003646349 -0.0002220603 -0.0000639218 0.0002077860 0.0041299280 -0.0102860366 0.0032469718 0.0010386695 -0.0016118711 0.0001081124 -0.0087969395 -0.0044864114 -0.0133921690 0.0136270430 0.0108335363 -0.0048858452 -0.0159509294 0.0102456941 0.0177672819 0.0022442225 -0.0004423684 0.0001836617 -0.0099690636 -0.0041637386 -0.0168552534 -0.0166934646 0.0114641040 0.0184577425 -0.0216381273 0.0088886631 0.0150013056 0.0371473283 0.0214955992 0.0652135515 0.2153662189 -0.1410924118 -0.2405708327 0.0179125199 0.0276333541 -0.0580840980 -0.5538578715 -0.4321210201 0.2865026617 0.3344063748 0.1175549760 0.3978647833 0.0003622168 -0.0003137459 -0.0010965589 0.0000573311 0.0019848011 0.0000656905 -0.0062035438 -0.0037260755 -0.0115424115 0.0063438445 -0.0203187486 0.0119439218 0.0007608587 -0.0006413678 -0.0012033300 0.0016042370 -0.0042704892 0.0025177724 -0.0105716702 0.0116900882 0.0116949338 0.0000096508 -0.0000700267 0.0001271065 -0.0006502865 0.0015139389 -0.0008035775 0.0009030275 -0.0010071374 -0.0010468473 0.0000391240 0.0002672066 0.0001112958 -0.0013343857 -0.0009287176 -0.0026317533 0.0010228602 -0.0023326826 0.0012536079 -0.0000846256 0.0000672918 0.0001253451 0.0005064004 -0.0013788106 0.0006958668 -0.0009053200 -0.0005469443 -0.0019405699 0.0014204255 0.0011643077 -0.0001920613 0.0000881353 -0.0000271045 0.0008533577 0.0006504132 0.0005748993 0.0011066298 -0.0019959789 -0.0006162430 -0.0164628454 -0.0000419662 0.0003117569 0.0003702508 -0.0014090687 -0.0026868872 -0.0045568407 0.0033484796 -0.0004382223 0.0010403697 -0.0012305671 -0.0010924227 0.0001490472 0.0004385388 0.0004567066 0.0002489130 -0.0034325867 -0.0028393383 0.0044007169 -0.0015814409 -0.0022535008 -0.0068164293 0.0008894034 -0.0010119007 -0.0010228017 -0.0056325089 -0.0065425448 0.0051996207 -0.0032328932 0.0187746001 0.0059635663 -0.0025949115 0.0013858184 0.0008070002 0.0007565085 -0.0002499850 -0.0007436556 0.0138313887 -0.0137555052 0.0030881878 -0.0000886134 0.0001416047 0.0000041828 0.0007083739 0.0003127048 0.0010958947 -0.0011008195 -0.0009931403 0.0003944136 0.0014150491 -0.0010314467 -0.0015402016 -0.0001958444 -0.0000235400 -0.0001484967 0.0017300939 0.0007331560 0.0024809749 0.0006325792 -0.0004486336 -0.0007239297 -0.0001498912 0.0000898631 0.0001022362 0.0002105292 0.0000968235 0.0003703770 0.0015394406 -0.0010553420 -0.0016677535 -0.0001141314 -0.0001582502 0.0002840064 0.0027515820 0.0022289563 -0.0014770081 -0.0014378657 -0.0004881590 -0.0017872177 0.0000285651 0.0000830952 -0.0000549931 0.0009011321 0.0008588294 0.0010911161 -0.0111914870 -0.0079895030 -0.0197831760 0.0000479122 -0.0087597468 0.0047028884 0.0097853048 -0.0093594176 -0.0102832493 0.0032578938 -0.0028958738 -0.0019644634 -0.1182438874 0.1218784001 0.1247233124 -0.0096193059 0.0472873066 -0.0536794160 0.3122428908 -0.7306752862 0.4457106328 -0.1902747626 0.1644239712 0.1908091529 0.0046120980 0.0009366753 0.0109082101 -0.0549214372 -0.0394435644 -0.1148140230 -0.0119921486 0.0307646765 -0.0140796474 0.0000211450 -0.0003532650 0.0003772814 0.0015218677 0.0018001821 -0.0033239634 -0.0000804972 -0.0002617679 0.0005053987 0.0027326205 0.0005067064 -0.0000208993 -0.0000510512 -0.0000296411 0.0000581352 -0.0000618212 0.0000327592 0.0005722429 -0.0000597637 0.0009495378 -0.0053555029 -0.0001944880 0.0001210800 -0.0001021581 -0.0001267083 -0.0000920040 -0.0004560240 0.0033009776 -0.0006649731 0.0009376420 -0.0008839944 -0.0006771459 0.0007652355 0.0005191021 0.0005828793 0.0007772299 -0.0030179586 -0.0025051558 0.0036487552 -0.0032167802 -0.0044164925 -0.0128790116 0.0004460889 -0.0007172781 -0.0005635257 -0.0030298748 -0.0034130203 0.0028228796 -0.0020490753 0.0117728430 0.0037117681 -0.0000349517 0.0001381166 -0.0000744414 -0.0000319796 0.0000014353 0.0000394456 0.0011458047 -0.0014393402 0.0003899606 0.0000666963 -0.0001771064 0.0000542407 -0.0009721691 -0.0004556439 -0.0015616037 0.0016350860 0.0013856439 -0.0005932293 -0.0013982840 0.0009629892 0.0015688853 -0.0000342383 -0.0000058040 -0.0001437127 0.0007458183 0.0002679755 0.0011930326 -0.0005051390 0.0001455894 0.0004078380 -0.0016580439 0.0006043959 0.0007048721 0.0050354908 0.0023257839 0.0075710980 0.0146443899 -0.0096668687 -0.0160779671 0.0000379794 0.0001595158 -0.0005420925 -0.0042403019 -0.0035793567 0.0020113381 0.0039097793 0.0015397003 0.0048522576 -0.0001417666 -0.0000277614 -0.0004968101 -0.0009726168 0.0054719835 -0.0016056634 -0.0082016878 -0.0043833803 -0.0173569882 0.0189014764 -0.0605107042 0.0367699648 0.0018436835 -0.0017535584 -0.0026864916 0.0022830364 -0.0062611308 0.0033744229 -0.0250021561 0.0271231303 0.0272682736 -0.0001896552 0.0005873220 -0.0004137022 0.0034740104 -0.0077776265 0.0049575714 -0.0006252191 0.0005235028 0.0004422937 0.0000322390 -0.0001673334 -0.0000030526 0.0002765004 0.0001814355 0.0006787231 -0.0008006093 0.0015817991 -0.0008894804 -0.0001059776 0.0001313966 0.0002460932 0.0009038864 -0.0021495840 0.0010547110 -0.0015671023 -0.0009222967 -0.0035919753 0.0020161389 0.0016309400 -0.0002578308 -0.0000398801 -0.0000480910 0.0002224639 0.0000264866 -0.0001903779 0.0003881467 -0.0000217722 0.0002239412 -0.0034120845 0.0099397257 -0.0077411382 0.0053368101 0.0089361241 0.0101759486 0.0382397070 -0.1851429735 0.0366232373 -0.0526634097 0.0593236010 0.0445360870 -0.0507242829 -0.0283181693 -0.0311612811 -0.0378728081 0.1728132373 0.1441203218 -0.2078253545 0.1654449037 0.2255735881 0.6584156545 -0.0179649331 0.0299815803 0.0237411487 0.1276701587 0.1418313328 -0.1175493219 0.0860995670 -0.4975480545 -0.1594939323 -0.0021886607 0.0030892039 -0.0011739809 0.0002017568 -0.0001621818 -0.0000078024 0.0236299968 -0.0298852756 0.0120409780 -0.0183980147 0.0397304832 -0.0103997382 0.2327801860 0.1008549446 0.3603363282 -0.3564395169 -0.3158874793 0.1273182363 0.3406118022 -0.2460728030 -0.3692876435 -0.0080747400 -0.0027617959 -0.0057487044 0.0735858613 0.0350859323 0.1066423123 0.0235464059 -0.0176494358 -0.0315029068 0.0176083666 -0.0073375698 -0.0078899796 -0.0506761125 -0.0242514883 -0.0816642371 -0.1592251225 0.1080522479 0.1755254041 0.0026213044 0.0045281333 -0.0097334558 -0.0861005279 -0.0678944297 0.0455211343 0.0554645208 0.0183740168 0.0670911743 0.0000383743 -0.0000621359 0.0001691274 -0.0013755873 0.0076808737 -0.0030713939 -0.0079166192 -0.0041205448 -0.0124667752 0.0253409431 -0.0849083921 0.0507457441 -0.0104819772 0.0057937885 0.0207075243 -0.0395834783 0.1073818412 -0.0678569880 0.1659114626 -0.1755914626 -0.1773080633 0.0001466375 0.0015306063 -0.0043441942 0.0181897377 -0.0392917161 0.0244958900 -0.0235032332 0.0196704257 0.0242829632 0.0004666698 0.0017704400 0.0017383990 -0.0119344056 -0.0082384529 -0.0254165687 0.0058036410 -0.0117389049 0.0068437372 0.0013570696 -0.0016843009 -0.0019793167 -0.0106678026 0.0266826374 -0.0134677495 0.0144003365 0.0084476047 0.0331156923 -0.0196281685 -0.0162069952 0.0029142975 0.0000428292 0.0000737676 0.0000520947 0.0001877355 -0.0000883172 0.0005391713 -0.0014421449 0.0002594133 -0.0090421926 0.0001667619 0.0002784432 0.0000065916 -0.0002905430 -0.0010462991 -0.0020667380 0.0004869653 -0.0002069499 0.0001409962 -0.0018565349 -0.0013129361 0.0020973206 -0.0008473856 -0.0009341811 -0.0010462857 0.0051688529 0.0043382425 -0.0061127835 0.0047593470 0.0065542571 0.0187482511 0.0001452259 -0.0001230374 -0.0001468107 -0.0007991081 -0.0008568009 0.0008459775 -0.0005797651 0.0021405999 0.0005652247 -0.0002717255 0.0003934446 0.0000439601 0.0000259800 -0.0000279849 -0.0000430964 0.0024793767 -0.0033333410 0.0007093701 0.0064431468 -0.0133309964 0.0035100269 -0.0793790809 -0.0344554607 -0.1228472685 0.1190973952 0.1051923733 -0.0424907762 -0.1154741576 0.0830929815 0.1254120262 0.0021016787 0.0006523989 0.0005278945 -0.0149264930 -0.0079310443 -0.0214739657 -0.0105057824 0.0071971262 0.0128556447 -0.0143616643 0.0061596595 0.0071612616 0.0372857900 0.0183125724 0.0601802111 0.1327829959 -0.0889522561 -0.1460790459 -0.0020740555 -0.0030346521 0.0057118201 0.0546594229 0.0435617903 -0.0292811635 -0.0302541107 -0.0100051383 -0.0362830492 0.0003529583 -0.0003051598 0.0004625657 -0.0034809868 0.0192692450 -0.0078173599 -0.0196035801 -0.0102614020 -0.0306744315 0.0632266850 -0.2125276454 0.1272880524 -0.0270581548 0.0149706896 0.0535057558 -0.1023618360 0.2776716930 -0.1753218936 0.4283443540 -0.4537099354 -0.4579670574 0.0003911727 0.0041351565 -0.0115310384 0.0485717831 -0.1051059744 0.0653306991 -0.0624569118 0.0525650286 0.0644473943 0.0010714719 0.0035494954 0.0040946841 -0.0257486877 -0.0178618906 -0.0558672425 0.0110010522 -0.0215334708 0.0127795471 0.0043788693 -0.0046686266 -0.0054897546 -0.0313816318 0.0786532398 -0.0397153050 0.0406207638 0.0237758306 0.0930679208 -0.0604211124 -0.0498494490 0.0092915913 0.0001115214 -0.0000541935 -0.0003164888 0.0000485354 -0.0004257299 0.0008245253 -0.0025319410 0.0009669083 -0.0141470170 0.0006133157 -0.0007472391 0.0003870501 0.0010136413 0.0015821302 0.0047049007 -0.0143789949 0.0027698336 -0.0041436545 0.0059553702 0.0042575747 -0.0053130600 -0.0018155067 -0.0018518354 -0.0019314076 0.0112237787 0.0095115639 -0.0133223099 0.0093618871 0.0123381392 0.0360111927 0.0015592561 -0.0023241463 -0.0019958337 -0.0109708205 -0.0117498858 0.0104104790 -0.0073140237 0.0384983142 0.0121194267 0.0006153985 0.0002086540 -0.0001510039 -0.0002769859 0.0000418575 0.0002198519 -0.0011432409 -0.0008170179 -0.0002642468 0.0050830563 -0.0159001588 0.0031354386 -0.0782210901 -0.0336412010 -0.1211751331 0.1458088203 0.1314037414 -0.0525646731 -0.1293203450 0.0954325216 0.1380784836 0.0156722739 0.0041515932 0.0186254851 -0.1711949476 -0.0723127463 -0.2496257966 -0.0151641792 0.0145333881 0.0254556073 0.0509363404 -0.0231164511 -0.0282872155 -0.1146021970 -0.0583674915 -0.1874708932 -0.4857672037 0.3235920208 0.5320215859 0.0044847996 0.0090347444 -0.0203120032 -0.1723066938 -0.1381780082 0.0918117691 0.1155601838 0.0403054206 0.1384412427 -0.0003792447 0.0005721527 0.0000824907 -0.0006402225 0.0037693517 -0.0013353844 -0.0044240529 -0.0023144315 -0.0076369756 0.0127656480 -0.0419176883 0.0248877958 -0.0031739896 0.0014940921 0.0066623960 -0.0138281481 0.0372888598 -0.0235947561 0.0520981978 -0.0549540761 -0.0554246887 0.0001092787 0.0006131923 -0.0017939629 0.0075439307 -0.0162579376 0.0100574088 -0.0099584028 0.0083639757 0.0100590686 0.0001863407 0.0003698099 0.0006811746 -0.0035853832 -0.0025785078 -0.0079705825 0.0007730707 -0.0013911266 0.0008630709 0.0015551106 -0.0010929378 -0.0011110079 -0.0088871373 0.0221629022 -0.0111853372 0.0091000899 0.0052812787 0.0207262805 -0.0182126262 -0.0149257399 0.0031375288 0.0000033631 -0.0000929983 0.0002349680 0.0002937024 -0.0001929807 0.0005078297 -0.0010599925 0.0001696265 -0.0084117974 -0.0019287894 0.0030754813 -0.0009107360 -0.0032686330 -0.0077911689 -0.0222305880 0.0474066856 -0.0104388926 0.0136038771 -0.0206831218 -0.0159909640 0.0199979215 -0.0013009279 -0.0015641964 -0.0015813543 0.0081730557 0.0069708618 -0.0095091946 0.0071354925 0.0101925776 0.0285794668 -0.0000558364 0.0006523561 0.0002396129 0.0003453251 0.0006551564 -0.0000988869 0.0009866264 -0.0083816212 -0.0029464423 -0.0005532811 0.0006597664 0.0001556798 0.0000760322 -0.0000988915 -0.0001379330 0.0046125172 -0.0058031757 0.0011315176 -0.0001632706 0.0004570120 -0.0002354051 0.0028633610 0.0012117156 0.0045711319 -0.0042158769 -0.0040733844 0.0015755569 0.0032043253 -0.0025629649 -0.0034721285 0.0013146049 0.0000292814 0.0006218859 -0.0093444361 -0.0040672640 -0.0136683654 -0.0059360640 0.0041643790 0.0066361260 -0.0028556869 0.0016294237 0.0024018436 0.0027038331 0.0019553069 0.0055673651 0.0311687573 -0.0206935328 -0.0342021159 0.0000442734 -0.0002325068 0.0009417124 0.0069348224 0.0047524331 -0.0032162166 -0.0059711994 -0.0019470863 -0.0068587682 -0.0002563148 -0.0000522562 -0.0006526805 -0.0013791117 0.0038668414 -0.0024125248 0.0010496433 0.0014113357 0.0008930230 0.0144762179 -0.0464254500 0.0280632708 -0.0006384847 -0.0001948949 0.0020039403 -0.0062061247 0.0161389673 -0.0105645461 0.0137013659 -0.0140395457 -0.0141798818 -0.0000413674 0.0002590543 -0.0005187778 0.0027171161 -0.0054905373 0.0035831036 -0.0025372699 0.0019980555 0.0024064216 -0.0002220893 -0.0010630449 -0.0004832305 0.0059836659 0.0039625939 0.0111849259 -0.0038117436 0.0086424600 -0.0050347003 0.0016221725 -0.0008635812 -0.0007780607 -0.0082376045 0.0206332846 -0.0103323265 0.0071599537 0.0041474211 0.0160468490 -0.0178209848 -0.0146126779 0.0032175041 0.0000687028 -0.0000224235 0.0002301686 -0.0000128356 -0.0003138701 0.0004023783 0.0002811572 0.0002952738 -0.0031831381 -0.0230693336 0.0272507968 -0.0101511520 -0.0341630242 -0.0624655954 -0.2003826098 0.5009636697 -0.1038369902 0.1443086758 -0.1951563867 -0.1526997933 0.1750345659 0.0149416103 0.0133435816 0.0123144925 -0.0973537599 -0.0807456521 0.1145941294 -0.0699259237 -0.0877811593 -0.2608401372 -0.0242342287 0.0305169153 0.0304369491 0.1848454274 0.1990095471 -0.1704439766 0.0993848096 -0.5564773096 -0.1790308222 -0.0026781190 0.0033526889 -0.0022257718 0.0000940282 -0.0002480525 0.0000696029 0.0286919213 -0.0346704714 0.0159326317 -0.0014269000 0.0014940954 -0.0008901712 0.0140719268 0.0059489384 0.0218721305 -0.0123066718 -0.0115319429 0.0044762135 0.0146922936 -0.0110716580 -0.0160518822 0.0053907601 0.0005949654 0.0039936237 -0.0465840680 -0.0200285633 -0.0674932559 -0.0168900419 0.0125485560 0.0199116937 -0.0022162765 0.0006104588 0.0006092713 0.0085158822 0.0038778183 0.0128920756 0.0175473347 -0.0114765558 -0.0194373202 -0.0002072647 -0.0003526790 0.0006116099 0.0057524111 0.0049165290 -0.0033618816 -0.0033077703 -0.0008277407 -0.0039714427 0.0000331946 -0.0000864439 0.0000413828 0.0006325508 -0.0012067774 0.0011695803 -0.0028484412 -0.0021519948 -0.0055649134 -0.0046825778 0.0157684747 -0.0093549223 0.0026144649 -0.0009431675 -0.0054705613 0.0119523441 -0.0333565771 0.0204743688 -0.0446534795 0.0457373395 0.0471518720 -0.0033491132 0.0053212181 -0.0000832987 0.0179805254 -0.0414881504 0.0266045937 0.0252478695 -0.0215219791 -0.0278157314 -0.0080966971 -0.0362941581 -0.0201427246 0.2153603323 0.1436935265 0.4120236804 -0.1274157812 0.2864664384 -0.1668800412 0.0357581430 -0.0146703534 -0.0138263345 -0.1651947973 0.4144805627 -0.2072825238 0.1332829676 0.0770122031 0.2957296659 -0.3864343038 -0.3163321028 0.0710784117 -0.0000235034 0.0000290461 -0.0000356204 -0.0000543455 0.0001013129 -0.0001130948 0.0001282265 -0.0000395888 0.0017062334 0.0013866155 -0.0017783731 0.0006004020 0.0021719097 0.0041391896 0.0132394677 -0.0310516387 0.0065802970 -0.0089415938 0.0124992529 0.0098019490 -0.0114004849 -0.0001295187 -0.0000236325 -0.0000012283 0.0009457328 0.0007306862 -0.0011293088 0.0004077813 0.0003071419 0.0012092676 0.0006284523 -0.0009193901 -0.0008266544 -0.0047365228 -0.0051780465 0.0042997609 -0.0027289440 0.0159674858 0.0051938341 0.0000889197 -0.0001694910 0.0000573060 0.0000047111 0.0000194702 0.0000008363 -0.0011660768 0.0016244962 -0.0005682815 0.0117873459 -0.0078804779 0.0073623415 -0.1041949093 -0.0439828752 -0.1624618377 0.0593695442 0.0585516419 -0.0221283207 -0.0898639107 0.0690193732 0.0992070268 -0.0549860700 -0.0067593595 -0.0420861300 0.4816995067 0.2078850712 0.6997746813 0.1648295147 -0.1240524649 -0.1977262357 0.0151239691 -0.0030370478 -0.0020029884 -0.0692126845 -0.0309689552 -0.1037918392 -0.1081543228 0.0705232779 0.1205326007 0.0045650202 0.0048377222 -0.0047358155 -0.0705053253 -0.0585987497 0.0404877689 0.0150101440 0.0023991703 0.0180834507 -0.0000880529 0.0002427639 -0.0001909717 -0.0000197567 0.0005021005 0.0000397941 -0.0014281147 -0.0008695505 -0.0029759539 0.0016608067 -0.0050438148 0.0029237500 0.0000493895 0.0000338221 -0.0002317112 0.0005116553 -0.0018452571 0.0011718626 -0.0013203562 0.0014244265 0.0015622859 -0.0002751219 0.0002809057 0.0000832750 0.0008897263 -0.0015647205 0.0011944037 0.0023759665 -0.0020724781 -0.0025712448 -0.0006019964 -0.0015260617 -0.0010525994 0.0111153636 0.0071719964 0.0207207818 -0.0049485295 0.0112113429 -0.0070041291 0.0050590705 -0.0024803922 -0.0021002783 -0.0248424780 0.0618484580 -0.0308943355 0.0200008511 0.0116015342 0.0448546828 -0.0540388656 -0.0439808101 0.0100356825 0.0000100537 0.0000254743 0.0002349793 0.0001470309 -0.0001102387 0.0001151707 -0.0001060265 -0.0000847781 -0.0017483243 -0.0022278350 0.0033289401 -0.0009752136 -0.0039912937 -0.0079280329 -0.0250545289 0.0536396126 -0.0116527346 0.0154670352 -0.0230154144 -0.0178767258 0.0215390823 -0.0013440436 -0.0015222330 -0.0013742681 0.0086995793 0.0073348500 -0.0101010653 0.0067610318 0.0091845078 0.0262666755 0.0006900351 -0.0003556149 -0.0007021048 -0.0054452522 -0.0055851803 0.0050439428 -0.0020541080 0.0097592364 0.0029975266 -0.0002225330 0.0002045724 0.0001417327 0.0000606394 -0.0000510460 -0.0000762681 0.0014771364 -0.0018415444 0.0001477361 0.0002739275 -0.0005891710 0.0002043700 -0.0035955386 -0.0015694532 -0.0056082265 0.0052741301 0.0049076743 -0.0019436433 -0.0048474000 0.0036527174 0.0052114660 -0.0006493016 0.0000225071 -0.0002387599 0.0042951999 0.0019281399 0.0062388207 0.0031237409 -0.0024011358 -0.0035600232 0.0015455748 -0.0009438714 -0.0014238890 -0.0009007660 -0.0012212850 -0.0022603315 -0.0173327575 0.0115671498 0.0190810206 0.0004746223 0.0005292534 -0.0007251374 -0.0098008218 -0.0077439870 0.0043785196 0.0033901678 0.0014164083 0.0038210130 -0.0001472979 -0.0000049407 -0.0003946138 0.0001713156 -0.0005667164 0.0008407714 -0.0010013167 -0.0006565176 -0.0043531210 -0.0019815463 0.0078370909 -0.0046875557 0.0021459535 -0.0006325024 -0.0060359359 0.0136660405 -0.0376413998 0.0250618454 -0.0404062666 0.0421853320 0.0430563156 0.0029409192 -0.0064238099 0.0016755546 -0.0235187492 0.0589339485 -0.0372132645 -0.0149292615 0.0160753027 0.0178927072 0.0041495810 0.0371472746 0.0169476798 -0.1895900350 -0.1287314163 -0.3671561960 0.1360985915 -0.3060340683 0.1736641084 0.0171974046 -0.0147078991 -0.0087352849 -0.1068004582 0.2608611468 -0.1306506927 0.0850546095 0.0490332198 0.1939229152 -0.1743341920 -0.1387195930 0.0336824599 -0.0000259833 0.0000041880 0.0001714432 0.0001517654 0.0000137368 0.0002477632 0.0003120551 -0.0001313676 -0.0011636710 0.0145209732 -0.0231993152 0.0058639864 0.0293588166 0.0571946540 0.1819476145 -0.3606400045 0.0785342768 -0.1040283754 0.1617945338 0.1294322036 -0.1476382648 0.0147821897 0.0159989099 0.0140556884 -0.0969663597 -0.0827136098 0.1134753380 -0.0722060765 -0.0963697442 -0.2778849731 -0.0118310729 0.0114097041 0.0136996275 0.0919519879 0.0975333888 -0.0846835082 0.0438119568 -0.2312776898 -0.0733869940 -0.0017835682 0.0015254232 -0.0011486336 0.0001384617 -0.0000960355 -0.0000882815 0.0157129988 -0.0175425325 0.0087120729 -0.0013265185 0.0013467621 -0.0007799045 0.0126488318 0.0054238695 0.0197434631 -0.0110877577 -0.0105734552 0.0041410538 0.0137120974 -0.0104045659 -0.0148824090 0.0040869844 0.0003417518 0.0027105110 -0.0335062918 -0.0146421217 -0.0487990658 -0.0140649603 0.0108909649 0.0167109171 -0.0035157363 0.0015926239 0.0020430640 0.0077325496 0.0044912892 0.0130039718 0.0336541047 -0.0225259878 -0.0370273797 -0.0009077207 -0.0011767782 0.0017778607 0.0208878898 0.0167071044 -0.0103286123 -0.0088013773 -0.0031816915 -0.0102845493 0.0000301419 0.0001931115 0.0002502203 0.0013459179 -0.0037151555 0.0027689820 -0.0018304004 -0.0018885118 -0.0053859421 -0.0137812023 0.0452365814 -0.0271707366 0.0030275089 -0.0006181247 -0.0084224262 0.0205328553 -0.0551631279 0.0362460514 -0.0580136564 0.0601309314 0.0612167593 0.0025059506 -0.0058804779 0.0022074231 -0.0237362286 0.0581914431 -0.0368040754 -0.0086874529 0.0109512992 0.0116601211 0.0035483446 0.0334936877 0.0149027954 -0.1691932997 -0.1148458673 -0.3271611409 0.1231297581 -0.2770344477 0.1571548198 0.0160366911 -0.0136427983 -0.0079372608 -0.0992978146 0.2426518982 -0.1215036752 0.0783155209 0.0451125232 0.1782210335 -0.1620626247 -0.1289357911 0.0313993304 0.0000266421 -0.0000591877 -0.0000984924 -0.0000314199 0.0001147293 -0.0003474505 0.0003010761 -0.0002334087 0.0042394185 -0.0153616581 0.0248414309 -0.0062163896 -0.0316004846 -0.0613032891 -0.1953260181 0.3844630089 -0.0837477070 0.1109155822 -0.1736607023 -0.1388902810 0.1583095498 -0.0160680821 -0.0173482288 -0.0153042828 0.1053599020 0.0897403455 -0.1232803024 0.0786119089 0.1047169192 0.3022704614 0.0128453571 -0.0122515465 -0.0148439568 -0.1000367252 -0.1059137566 0.0918308477 -0.0471974685 0.2497772453 0.0795080344 0.0017002223 -0.0018647508 0.0014099887 0.0000117425 0.0000722959 -0.0000299144 -0.0176545037 0.0204442870 -0.0096117208 0.0012328322 0.0000714651 0.0001333842 -0.0048197686 -0.0025595879 -0.0075773451 -0.0026034265 -0.0016070841 0.0004059232 -0.0053475587 0.0038077097 0.0060018717 -0.0015295338 -0.0003411448 -0.0019334038 0.0191533540 0.0102634789 0.0250918965 0.0000675048 -0.0004629681 -0.0013611357 0.0027856740 0.0027822379 0.0083087886 -0.0570500707 -0.0264769509 -0.0833268724 0.0219246802 -0.0116496652 -0.0215015553 -0.0735570410 -0.0417873751 -0.0329014777 0.4030029622 0.3178290478 -0.2284234550 0.4925749458 0.1690648596 0.6139262763 -0.0020490849 0.0015490136 0.0009931987 0.0050557859 -0.0013464062 0.0093546342 -0.0454925800 -0.0294954483 -0.0857935123 -0.0134509832 0.0452436613 -0.0265162467 -0.0008203243 0.0015222985 0.0000841907 0.0038579082 -0.0112954072 0.0076308410 0.0066369454 -0.0068766716 -0.0072145502 0.0002368284 -0.0002770974 -0.0002617182 -0.0005302135 0.0008927975 -0.0005668359 -0.0025376696 0.0019364793 0.0027889410 0.0000358007 -0.0002763992 0.0000212027 0.0008050506 0.0004561302 0.0014184560 -0.0012284126 0.0028697441 -0.0016756544 -0.0000151273 0.0000354441 -0.0000763510 0.0001342835 -0.0003107707 0.0001795283 0.0003079104 0.0002578137 0.0007556563 -0.0003983766 -0.0002999516 0.0000283609 -0.0000028405 -0.0002481173 -0.0003922460 0.0001476930 -0.0005778348 0.0022929108 -0.0030363137 0.0013359416 -0.0224179696 -0.0004900767 -0.0002776640 -0.0004313113 0.0020033317 0.0032708678 0.0055274929 0.0022538998 -0.0009595405 0.0003765281 0.0021784073 0.0020950569 -0.0008709875 -0.0000678223 0.0000404152 0.0005170122 0.0018484814 0.0012219197 -0.0021032250 -0.0012000152 -0.0019602827 -0.0048053753 -0.0007565627 -0.0006138870 0.0007357434 0.0083214793 0.0094948609 -0.0080238066 0.0002066278 -0.0017182396 -0.0000777947 0.0013999483 -0.0006563712 -0.0004033699 -0.0003838461 0.0000412345 0.0004406479 -0.0071253398 0.0070141056 -0.0011088409 0.0000786748 0.0000862026 0.0000322924 -0.0001992602 -0.0001501175 -0.0003449298 -0.0007923625 -0.0006561123 0.0002258521 0.0002613022 -0.0002265304 -0.0002433396 -0.0001560457 -0.0000330946 -0.0002092490 0.0020708896 0.0011438211 0.0027232434 -0.0000632918 0.0000500588 -0.0001342104 0.0002067222 0.0005127831 0.0013096075 -0.0078093533 -0.0036436924 -0.0112922935 0.0052665321 -0.0032408851 -0.0053170257 -0.0087213466 -0.0050276165 -0.0035724613 0.0487938840 0.0388141263 -0.0273236466 0.0561595874 0.0189275581 0.0694756016 -0.0001858022 0.0012535365 -0.0009831715 -0.0408714733 0.0062958309 -0.0781632816 0.3898016505 0.2589254397 0.7457772006 0.0998794985 -0.3375798044 0.1966464295 0.0083720562 -0.0133827534 -0.0035575531 -0.0293488013 0.0804785668 -0.0551517853 -0.0787481187 0.0812310581 0.0863983661 -0.0007047243 0.0006802226 0.0019757042 -0.0012997607 0.0051656150 -0.0019790146 0.0159948231 -0.0114138452 -0.0153520620 -0.0006238442 0.0012581075 -0.0009587129 0.0009044808 0.0010507882 0.0025753045 0.0066861205 -0.0158719531 0.0088070023 0.0013352184 -0.0005083827 0.0008535240 -0.0055394094 0.0137560346 -0.0068106950 -0.0021028066 -0.0015888665 -0.0054509746 -0.0075903357 -0.0059807237 0.0020169314 0.0000215721 -0.0000197399 0.0006809687 0.0014214630 -0.0008381656 0.0041295568 -0.0116580482 -0.0003644822 -0.0548150321 0.0003184643 -0.0000842372 -0.0003278966 0.0007191622 0.0014919385 0.0039328426 -0.0035911073 0.0007674686 -0.0011180263 -0.0012652116 -0.0011038148 0.0012771137 -0.0016237650 -0.0011262081 0.0042013917 0.0239731892 0.0210695480 -0.0274812338 -0.0054033551 -0.0077764942 -0.0214512785 0.0024203777 0.0021503166 -0.0024476858 -0.0304616250 -0.0340921788 0.0308005033 -0.0009849188 0.0084995278 0.0011960891 -0.0005229400 -0.0002714741 -0.0002783091 0.0001738948 0.0000094009 0.0000077880 0.0006703960 0.0000594297 0.0001699165 0.0000384856 -0.0000151136 -0.0000370198 -0.0000245391 0.0000167019 -0.0000019112 -0.0000531083 -0.0000273398 0.0000185912 -0.0003599586 0.0002370184 0.0003923101 0.0001068896 -0.0000868854 -0.0001214741 0.0000191595 -0.0000530092 -0.0000431780 -0.0012642421 0.0011124470 0.0015332411 0.0000649266 0.0001440065 0.0003718980 -0.0020116488 -0.0007529308 -0.0027455278 0.0012888311 -0.0008483290 -0.0014194244 0.0004188225 0.0002585987 0.0000045675 -0.0039597812 -0.0030233605 0.0018710527 -0.0019119911 -0.0006879029 -0.0027871127 0.0002966170 -0.0001639610 0.0008782174 0.0025921807 0.0004601356 0.0050091930 -0.0273337129 -0.0174911919 -0.0507459811 -0.0034660890 0.0127459023 -0.0071454823 -0.0007160375 0.0011585151 0.0001553617 0.0029073386 -0.0077843782 0.0054106789 0.0060729090 -0.0061330329 -0.0065522092 0.0005559842 -0.0005432466 -0.0004981359 -0.0006653867 0.0014906141 -0.0010359856 -0.0062674223 0.0050022432 0.0064541957 -0.0002167765 0.0000674106 -0.0003622825 0.0016817334 0.0011984812 0.0032068876 0.0009129058 -0.0021371360 0.0011638936 -0.0001003852 -0.0000194641 0.0000022516 0.0001904982 -0.0004690269 0.0002399549 -0.0000494778 -0.0000029069 -0.0000109989 0.0009462506 0.0007346677 -0.0001963965 0.0000757282 0.0000267552 -0.0003766813 0.0001457601 0.0003679597 -0.0005813482 0.0002978706 -0.0003890288 0.0048829205 0.0086555560 0.0019579241 -0.0067411664 0.0096394333 0.0138360628 0.0450387296 -0.0548941715 0.0109671853 -0.0178181300 -0.0592255196 -0.0491585209 0.0569477996 -0.0283452680 -0.0203716530 0.0696325306 0.4360191369 0.3696164493 -0.4862605720 -0.0965202219 -0.1269491732 -0.3526342119 0.0166707084 0.0421601842 -0.0125645295 -0.2519358282 -0.2547048744 0.2378780806 0.0479377471 -0.2541018058 -0.0857194111 -0.0017416875 0.0012766144 -0.0003696616 0.0005893424 0.0000344732 0.0000363359 0.0102181490 -0.0105447549 0.0032426812 -0.0001391864 -0.0000554391 0.0001953481 -0.0006466059 -0.0002577475 -0.0009519430 0.0015954251 0.0014263201 -0.0005647642 0.0006685460 -0.0005066322 -0.0007632965 0.0000059201 0.0000035613 0.0000144613 -0.0001161233 -0.0000852207 -0.0002726365 0.0001637473 -0.0000494534 0.0000348071 0.0001126551 -0.0000282705 -0.0000265284 -0.0004036986 -0.0002142970 -0.0006379169 -0.0009335175 0.0005948988 0.0009980953 0.0000435960 0.0000360013 0.0000012971 -0.0004527964 -0.0003402479 0.0002271139 -0.0001713075 0.0000007754 -0.0002279182 0.0000088367 0.0000474767 -0.0000324911 0.0011495578 -0.0003488401 0.0017675596 -0.0093388614 -0.0062204506 -0.0168133003 -0.0033287078 0.0084681856 -0.0051882692 0.0022955178 -0.0047845846 0.0022636519 -0.0148018156 0.0486219721 -0.0299638264 -0.0072336042 0.0085857257 0.0089416614 0.0058459982 -0.0020078218 -0.0118596971 0.0203805659 -0.0511955405 0.0293865583 -0.0948932715 0.0792010822 0.1020412517 -0.0437045072 0.0343733757 -0.0698908921 0.2638204357 0.1905330416 0.5083018208 0.2571510332 -0.6026019135 0.3278610446 0.0029379317 -0.0112902395 0.0180985446 -0.0468781424 0.1179360999 -0.0593712432 -0.0665950145 -0.0415098657 -0.1462613440 0.0762808009 0.0578136588 -0.0099543654 -0.0000039538 -0.0000321134 0.0000267386 0.0000088767 -0.0000204054 0.0004979568 -0.0002031553 0.0004464770 -0.0051852976 -0.0001253422 -0.0000755299 0.0000315233 0.0000516094 0.0001313532 0.0004125311 0.0004190991 -0.0000860414 0.0001313181 0.0010473361 0.0008440141 -0.0009582838 0.0002195217 0.0001679436 -0.0004277134 -0.0030847506 -0.0026067217 0.0034479030 0.0004642819 0.0006323479 0.0016899121 -0.0001114182 -0.0002257509 0.0000963350 0.0016458198 0.0016650681 -0.0015434395 -0.0001919936 0.0010136195 0.0003353907 0.0000600560 0.0000199635 -0.0000146983 -0.0000373639 0.0000043650 0.0000239560 0.0000194080 -0.0000642337 -0.0000557059 0.0001067264 -0.0000678005 -0.0002517563 0.0008158380 0.0003371108 0.0011794386 -0.0006130343 -0.0006060327 0.0002004799 -0.0014699698 0.0011080792 0.0015670620 0.0000830373 0.0000242630 0.0000885114 -0.0008009798 -0.0004089974 -0.0012852244 -0.0000457228 0.0000978529 0.0002181658 -0.0000310196 -0.0000280734 -0.0000883210 0.0005804108 0.0002787409 0.0008916413 -0.0002337257 0.0001671292 0.0002303206 -0.0001549413 -0.0000846507 -0.0001169995 0.0006205156 0.0004081759 -0.0004046313 0.0013633401 0.0003107502 0.0013696558 -0.0000728611 -0.0002195432 0.0002472567 0.0046326175 -0.0048814733 0.0091041690 -0.0330037763 -0.0216135215 -0.0619145805 -0.0215392581 0.0758298200 -0.0451270163 0.0210950020 -0.0469409495 0.0183564353 -0.1646052782 0.4729966256 -0.3161792662 -0.0948447062 0.0937377190 0.1021840607 -0.0426563376 0.0431953263 0.0305315037 0.0645951154 -0.1607298569 0.1015343458 0.4425473241 -0.3612968070 -0.4666684682 -0.0018656278 0.0076578324 -0.0018701621 -0.0109390705 -0.0072555689 -0.0202361082 0.0330785937 -0.0755349568 0.0425805162 0.0018023515 -0.0029365076 0.0029338098 -0.0133912628 0.0340889046 -0.0177043840 -0.0083031355 -0.0063421557 -0.0205914636 0.0070722586 0.0052571236 0.0000486356 0.0003200379 -0.0000696709 -0.0001408746 -0.0005845646 0.0001924320 -0.0030998878 0.0033054632 -0.0014557678 0.0353515548 0.0006671352 0.0002385818 -0.0003189713 0.0002820132 0.0002382257 0.0007621893 -0.0036702849 0.0007806159 -0.0012053642 -0.0045312288 -0.0035427732 0.0042707420 -0.0011809028 -0.0009165919 0.0024011060 0.0170960497 0.0141505237 -0.0188335506 -0.0028838022 -0.0036441879 -0.0102317058 -0.0013738477 -0.0026610036 0.0011438358 0.0189096473 0.0193839962 -0.0177955575 -0.0024819648 0.0125558038 0.0042802175 0.0002013520 -0.0001415897 0.0001132018 -0.0000033060 0.0000076214 -0.0000083719 -0.0017547439 0.0018198881 -0.0006945371 0.0002530899 0.0001455057 -0.0000176910 -0.0006108047 -0.0002906839 -0.0009418244 -0.0019566580 -0.0017764173 0.0007554037 -0.0003682325 0.0002896666 0.0004629788 -0.0001496016 0.0000870742 0.0001084332 0.0002477318 0.0000939651 0.0002248100 0.0017039867 -0.0009087027 -0.0016973133 -0.0004974864 -0.0004021332 -0.0011791018 0.0078787986 0.0033451353 0.0119030547 -0.0023182015 0.0014212496 0.0022825131 -0.0011074708 -0.0007051052 -0.0003112279 0.0066175888 0.0058449356 -0.0039073931 0.0057352481 0.0017525892 0.0064887121 0.0003498639 0.0000380486 0.0010490179 0.0010527584 0.0003920441 0.0019353564 -0.0115357026 -0.0063351870 -0.0183744188 -0.0002407765 0.0021681379 -0.0008555806 0.0009344953 -0.0022229405 0.0010123850 -0.0078078346 0.0232135759 -0.0154130025 -0.0039729001 0.0038433305 0.0041855264 -0.0018727506 0.0019185894 0.0013532526 0.0027440869 -0.0069824157 0.0043820553 0.0197380477 -0.0160716577 -0.0208188899 -0.0000319952 0.0002749565 -0.0000086033 -0.0006444724 -0.0004294780 -0.0012201887 0.0010899183 -0.0024570074 0.0014197059 0.0001038720 -0.0001422675 0.0001622964 -0.0007075634 0.0018007891 -0.0009131705 -0.0004511041 -0.0003375367 -0.0011596906 0.0002357830 0.0001694534 0.0000272885 0.0001545945 0.0000274592 -0.0003082160 0.0002602419 0.0002389527 -0.0002980975 -0.0005952657 -0.0002583761 0.0009978112 -0.0118652659 -0.0046291094 0.0052287794 -0.0035578648 -0.0016159650 -0.0057875633 0.0628020342 -0.0130625803 0.0205388003 0.0810457158 0.0633508663 -0.0768399975 0.0193958558 0.0153232093 -0.0375337968 -0.2745237246 -0.2261562294 0.3021360798 0.0413397802 0.0529643435 0.1489243090 0.0326720576 0.0656596533 -0.0268340858 -0.4550594902 -0.4607735050 0.4228468463 0.0644555972 -0.3292513886 -0.1093052542 -0.0008899641 0.0006407200 -0.0020603964 -0.0004801218 0.0004140965 0.0007249582 0.0141873601 -0.0128265693 0.0064187243 0.0558461333 -0.0003224102 -0.0680175963 0.1576964375 0.0610052578 0.2183144544 -0.4016733624 -0.3718963300 0.1374103750 -0.4217932498 0.3156242512 0.4551637978 -0.0108613886 0.0120872620 0.0216099449 -0.0477933231 -0.0193926007 -0.0639331796 0.1834891288 -0.1274757382 -0.2014438961 -0.0048732611 -0.0026541239 -0.0084452225 0.0650784750 0.0275812428 0.0951436213 -0.0121131448 0.0052649290 0.0118421695 -0.0008003879 -0.0005044103 -0.0002929310 0.0033586012 0.0030628691 -0.0021571424 0.0053030186 0.0017070700 0.0062877562 0.0000299227 0.0000622081 -0.0002384291 -0.0000235320 -0.0000297919 -0.0000694850 0.0004055092 0.0002795330 0.0007845389 -0.0000928335 0.0001468490 -0.0000407309 0.0000126094 0.0000294500 -0.0000855124 0.0003264272 -0.0007776367 0.0004990713 -0.0004523276 0.0004894409 0.0004810529 0.0001994100 -0.0001950974 -0.0001546469 -0.0002549024 0.0006026053 -0.0003774574 -0.0020740965 0.0017319286 0.0022487107 -0.0000622923 0.0000453823 -0.0001006743 0.0003810477 0.0002831769 0.0007575875 0.0003673915 -0.0008259654 0.0004574907 -0.0000147326 -0.0002388355 0.0001723710 -0.0008406501 0.0020421683 -0.0009956094 -0.0003509961 -0.0002116119 -0.0007847232 0.0013179765 0.0010660018 -0.0002149860 0.0000193285 0.0001204385 0.0001629874 -0.0000157275 -0.0000180422 0.0001014731 -0.0000109551 0.0000170993 -0.0006038869 -0.0011660575 -0.0003413164 0.0001203275 0.0001381073 0.0005593626 0.0017836133 0.0078590040 -0.0017125279 0.0022765734 0.0057071866 0.0045629823 -0.0057830376 -0.0002454163 -0.0001918033 0.0003328786 0.0029429708 0.0024734462 -0.0033197030 -0.0001800736 -0.0002659109 -0.0007492451 -0.0001372259 -0.0003277263 0.0001141603 0.0020878505 0.0020293412 -0.0019497757 -0.0003424647 0.0019386812 0.0005998676 0.0000381922 -0.0000340259 -0.0000060846 -0.0000065101 0.0000118214 0.0000138769 -0.0002715017 0.0002767625 -0.0001117946 -0.0002213923 -0.0002086801 0.0000144508 0.0003557480 0.0001575815 0.0006455435 0.0024045942 0.0021965397 -0.0008753323 -0.0002359355 0.0001297578 0.0001654449 -0.0001378065 0.0002256843 0.0004262959 -0.0013447674 -0.0006577379 -0.0021041345 0.0030797969 -0.0021970285 -0.0030499371 -0.0000916562 -0.0002265209 -0.0005746269 0.0032589627 0.0013452725 0.0047013594 -0.0021783987 0.0014309412 0.0023061612 -0.0001702575 -0.0000840796 -0.0001587115 0.0003529412 0.0003105904 -0.0002723377 0.0020427069 0.0007269779 0.0023282216 0.0000666895 0.0000145582 -0.0003553692 -0.0047168720 0.0055725133 -0.0084235578 0.0305727767 0.0195328985 0.0555985432 0.0216326664 -0.0823712719 0.0486354355 -0.0294319139 0.0603998551 -0.0165233379 0.1949633906 -0.5494471385 0.3705412330 0.1609321468 -0.1700838477 -0.1771736811 -0.0347155372 0.0401890599 0.0185890472 0.0898255576 -0.2046731105 0.1315431876 0.3279613911 -0.2706450957 -0.3500793015 -0.0039521255 0.0061011563 -0.0057805224 0.0140487353 0.0084461826 0.0267784926 0.0311014603 -0.0826531999 0.0441898469 -0.0067356536 -0.0149912262 0.0044284814 -0.0350288869 0.0853001237 -0.0434875808 0.0018030163 0.0005853455 0.0092617029 0.1156315183 0.0904961243 -0.0210783297 -0.0003746019 0.0000758223 0.0002011838 -0.0000908707 -0.0002854945 -0.0007661333 -0.0009155826 -0.0007437009 0.0069231575 -0.0006165545 -0.0002672039 0.0000279304 0.0003063164 0.0006802612 0.0022421813 0.0033046316 -0.0007528730 0.0009925159 0.0038217115 0.0031100380 -0.0035271361 0.0000486370 0.0000480272 0.0001162974 -0.0002172033 -0.0001288186 0.0002534019 -0.0004310712 -0.0005197322 -0.0015610727 -0.0000672203 0.0003188668 0.0000995545 -0.0002011406 -0.0000321648 0.0003694985 0.0005430010 -0.0040634643 -0.0014976325 -0.0000047390 0.0003493497 -0.0002237757 -0.0000684156 0.0000043909 0.0000830548 0.0021564822 -0.0035707395 0.0011189708 0.0029010618 -0.0066766716 -0.0193481695 0.0811524806 0.0344030280 0.1203099540 -0.0219512684 -0.0216085860 0.0043236806 -0.0962654829 0.0699184263 0.1016886908 0.0101881230 -0.0069611497 -0.0095417421 -0.0058345504 -0.0048875930 -0.0063334832 -0.1158757332 0.0851424078 0.1275791145 0.0282425845 0.0250354961 0.0718926361 -0.4834070759 -0.2090885810 -0.7105097400 0.1512976113 -0.0980400832 -0.1568144537 0.0070516035 0.0034250037 0.0055642833 -0.0209294138 -0.0187789734 0.0120837941 -0.0619792187 -0.0185882765 -0.0746160686 0.0000330029 -0.0004881866 0.0009795115 0.0000351003 0.0001112911 0.0001401321 -0.0009631907 -0.0006691743 -0.0019518624 0.0003395668 -0.0008870646 0.0004267435 -0.0001820524 0.0003239037 -0.0000286280 0.0010246434 -0.0025650329 0.0017583380 0.0012597687 -0.0013186283 -0.0013951675 -0.0002015299 0.0002365739 0.0001239050 0.0005285297 -0.0010750003 0.0006088218 0.0018969665 -0.0015444786 -0.0021254716 0.0001156314 -0.0001700330 0.0001720074 -0.0004829596 -0.0003285529 -0.0009229713 -0.0009865024 0.0021153118 -0.0011059609 -0.0007196546 -0.0018570135 0.0006300997 -0.0050198975 0.0117475355 -0.0059177736 0.0002194047 -0.0001082969 0.0008253922 0.0133380988 0.0104687662 -0.0024323545 -0.0002243911 0.0003044220 -0.0004675931 -0.0000872543 0.0001552827 -0.0010622592 0.0012419505 -0.0003206383 0.0106111511 0.0206773114 0.0067173632 -0.0015108849 -0.0042960299 -0.0150651790 -0.0469963716 -0.1336614474 0.0289038052 -0.0392661823 -0.1080631927 -0.0887861015 0.1056704613 0.0024845840 0.0018523239 -0.0033509844 -0.0288944103 -0.0247728308 0.0326030028 0.0019406533 0.0029879335 0.0080528963 0.0009845500 0.0019456942 -0.0008922042 -0.0150458455 -0.0144873257 0.0131954560 0.0017010811 -0.0091199732 -0.0028319873 -0.0000237974 0.0000774266 -0.0000726069 -0.0000526328 -0.0000167234 0.0000180461 0.0007825457 -0.0007297800 0.0003469693 0.0015066103 0.0014090314 0.0016544445 -0.0124973008 -0.0050796697 -0.0192716612 -0.0098027404 -0.0088528947 0.0038492794 0.0043488686 -0.0028180966 -0.0042670745 0.0002243349 -0.0002013292 -0.0003889513 0.0008246509 0.0004644113 0.0011669960 -0.0033388448 0.0021271205 0.0034795777 -0.0005392032 -0.0005316311 -0.0014639098 0.0095971917 0.0041140362 0.0141067668 -0.0033583846 0.0022230467 0.0035029340 -0.0000987062 -0.0000379413 -0.0000980040 0.0001597773 0.0001861844 -0.0000942065 0.0009107422 0.0002786130 0.0011386078 0.0000141170 -0.0000625143 0.0000997604 0.0006489151 -0.0008339364 0.0011806523 -0.0042127458 -0.0026784827 -0.0074771411 -0.0030371564 0.0125658201 -0.0073750517 0.0044005614 -0.0086434332 0.0021536031 -0.0283809640 0.0773549896 -0.0527398570 -0.0238444530 0.0261629966 0.0274298778 0.0066680677 -0.0076915984 -0.0025080777 -0.0185078495 0.0497390211 -0.0318793355 -0.0575471680 0.0467576432 0.0597302747 0.0076853138 -0.0131810901 0.0110258347 -0.0221127367 -0.0151741782 -0.0431191121 -0.0703503117 0.1616431731 -0.0876793420 -0.0274671488 -0.0806856177 0.0300150206 -0.2306429246 0.5405484531 -0.2702031653 0.0006492418 -0.0100765935 0.0142570560 0.5535229159 0.4346257279 -0.0998114470 0.0000493336 0.0000098139 -0.0000676430 -0.0000248913 0.0000565407 0.0001909563 0.0000533878 0.0001871028 -0.0020852849 -0.0003664597 -0.0001523304 0.0000633213 0.0001046643 0.0002601441 0.0008806744 0.0019312567 -0.0004083176 0.0005680503 0.0023073156 0.0018655980 -0.0022331571 -0.0000498757 -0.0000370759 0.0000921373 0.0006612149 0.0005819508 -0.0007430400 -0.0001084879 -0.0001251383 -0.0003818175 -0.0000259529 -0.0001301890 0.0000082666 0.0005366357 0.0004676248 -0.0004781358 -0.0001796092 0.0011213218 0.0003609757 0.0000644515 -0.0000712172 0.0000259951 -0.0000148124 0.0000092141 0.0000036790 -0.0006013990 0.0008455368 -0.0003117267 -0.0637527710 -0.0485154306 -0.0423776982 0.3980273344 0.1601312426 0.6197864016 0.4236233194 0.3867355784 -0.1614206909 -0.0582300507 0.0292583657 0.0483829293 -0.0142768877 0.0072409363 0.0099712825 0.0195452174 0.0073741033 0.0298986908 0.1409751553 -0.0984808715 -0.1543462472 -0.0023212916 -0.0009035078 -0.0036598147 0.0325451160 0.0158522313 0.0456190003 -0.0005420738 0.0007677389 -0.0000620974 -0.0009467720 -0.0004148605 -0.0005771265 0.0036358909 0.0025985862 -0.0018124512 0.0076089652 0.0016237780 0.0095383530 -0.0000334377 0.0000599941 -0.0000301682 0.0000201416 -0.0000132539 0.0000557763 -0.0002269311 -0.0001302536 -0.0004538168 -0.0000229317 0.0003153373 -0.0002063344 0.0002143693 -0.0004488383 0.0001468973 -0.0016313757 0.0042795564 -0.0029055045 -0.0009285190 0.0010942022 0.0011318386 0.0003530304 -0.0004098609 -0.0001623419 -0.0009453896 0.0024380986 -0.0015072530 -0.0032074587 0.0025261381 0.0033598129 0.0002362785 -0.0004862624 0.0003251317 -0.0003106047 -0.0002436699 -0.0006749719 -0.0024440002 0.0056849770 -0.0031647412 -0.0006239832 -0.0020532244 0.0008498820 -0.0061241237 0.0143588100 -0.0071348261 -0.0003535868 -0.0004784674 -0.0004523090 0.0137938842 0.0108014002 -0.0024675686 0.0000497580 0.0000949206 0.0000667091 0.0000360970 -0.0000478568 0.0001229228 -0.0001155824 0.0000623924 -0.0013190633 -0.0043449721 -0.0014342546 0.0001908207 0.0010383893 0.0036932581 0.0114620470 0.0281942301 -0.0060613649 0.0082764203 0.0227881484 0.0191497709 -0.0220655017 -0.0004072454 -0.0002864351 0.0005485691 0.0046126764 0.0039086408 -0.0052100487 -0.0003056101 -0.0005166111 -0.0014085381 -0.0000965823 -0.0001280029 0.0001050006 0.0014943061 0.0013538771 -0.0012752910 0.0000054713 0.0001637283 0.0000108156 -0.0000379158 0.0000289184 0.0000113613 0.0000166279 -0.0000114456 -0.0000107650 0.0002187932 -0.0002968096 0.0000746348 -0.0032942350 -0.0004952419 0.0028974970 -0.0032483508 -0.0016570578 -0.0036349241 0.0233300323 0.0218386737 -0.0080503447 0.0203222010 -0.0154304428 -0.0218158868 -0.0047250762 0.0037674132 0.0060124717 -0.0043647550 -0.0010915632 -0.0069573041 0.0603294268 -0.0433518040 -0.0663537837 -0.0069741464 -0.0057904051 -0.0170240342 0.1163737277 0.0503411763 0.1715201221 -0.0334092034 0.0220897615 0.0349529519 -0.0022713531 -0.0011589593 -0.0014809070 0.0095452526 0.0077253514 -0.0053729755 0.0179689634 0.0054664370 0.0217537261 -0.0001645285 0.0003189634 -0.0004361241 -0.0000463007 0.0001134906 -0.0001236399 0.0002806604 0.0003897524 0.0008678777 0.0004841552 -0.0015084088 0.0009641844 -0.0001635303 0.0003016117 -0.0000220598 0.0006893371 -0.0023008376 0.0016042576 0.0012824153 -0.0013057566 -0.0013155325 -0.0001379993 0.0001833154 0.0000367430 0.0005473416 -0.0011774099 0.0007807846 0.0011476856 -0.0009995469 -0.0012805546 -0.0000263073 -0.0000134215 -0.0000445215 0.0003359392 0.0002095212 0.0005631040 0.0000056608 -0.0001051189 0.0000287372 0.0001030443 -0.0001066018 0.0002899564 -0.0006475178 0.0016049058 -0.0007684601 -0.0011493965 -0.0007114109 -0.0025983652 0.0005745382 0.0004125276 -0.0000621707 0.0003405664 -0.0000264955 0.0002257768 0.0000710199 -0.0001766621 0.0006112790 -0.0006187589 0.0002705923 -0.0065224047 0.0821713056 0.0290042228 -0.0047695635 -0.0219358899 -0.0727229455 -0.2360852127 -0.5064920937 0.1094975742 -0.1491411682 -0.4578255358 -0.3832303898 0.4394087594 0.0080957061 0.0061685827 -0.0093390748 -0.0894166998 -0.0775952485 0.1012694843 0.0021856875 0.0031808183 0.0105550508 0.0019501808 0.0048191818 -0.0017708970 -0.0345901101 -0.0310005063 0.0291785751 0.0050499675 -0.0268433827 -0.0076586943 -0.0000520186 0.0001518028 -0.0004540754 -0.0001364327 -0.0000371923 0.0002471028 0.0025210302 -0.0025765304 0.0016818627 0.0033450526 -0.0104130826 -0.0285508697 0.1230686160 0.0458018724 0.1854054993 -0.0221574892 -0.0234536460 0.0070016224 -0.1463871165 0.1092499533 0.1507029549 0.0305437004 -0.0358387747 -0.0660787622 0.1577173279 0.0666571795 0.2230969835 -0.5156204285 0.3630430028 0.5656890060 -0.0041069287 -0.0091412038 -0.0230577018 0.1288831860 0.0574191622 0.1865716521 -0.0814904603 0.0492688257 0.0857590835 -0.0012308719 -0.0003503060 -0.0013149926 0.0020358470 0.0023503551 -0.0008799744 0.0145631587 0.0031708577 0.0172867846 -0.0000521369 0.0003157300 -0.0005998209 -0.0000225204 0.0000278380 -0.0001062596 0.0003043103 0.0002981471 0.0008178060 0.0000659125 -0.0004780078 0.0003806788 -0.0004335886 0.0007427019 0.0000555052 0.0015425283 -0.0048872441 0.0032788057 0.0039587828 -0.0039279198 -0.0040835399 -0.0001144359 0.0000906951 0.0001079832 0.0002195498 -0.0000752877 0.0000961090 0.0010471603 -0.0009023807 -0.0013081929 0.0008673162 -0.0003455759 0.0014064579 -0.0058690626 -0.0043974414 -0.0119804335 -0.0039622183 0.0084596613 -0.0046422930 0.0063987723 0.0013628619 0.0080671198 -0.0113049373 0.0297582467 -0.0137461363 -0.0377635166 -0.0234165741 -0.0885580270 -0.0279301460 -0.0228806431 0.0062594922 0.0000525750 -0.0007046597 0.0001525357 0.0000992855 -0.0001108128 0.0010115352 -0.0012388273 0.0002807545 -0.0108126889 0.0033094232 0.0012505313 0.0000650688 -0.0013692200 -0.0040968748 -0.0134943584 -0.0198026782 0.0042823623 -0.0057961239 -0.0190043685 -0.0162986532 0.0178841452 0.0003074295 0.0002437544 -0.0003301252 -0.0034375917 -0.0030048481 0.0038768794 0.0000013646 -0.0000191546 0.0001410259 -0.0000169573 0.0000726886 0.0000220055 -0.0002151606 0.0000824632 0.0001577571 0.0001203298 -0.0008968400 -0.0001440388 0.0000274750 -0.0000094413 -0.0000685622 -0.0000180658 0.0000182156 0.0000466619 0.0000516042 -0.0001186590 0.0001448566 -0.0003488644 0.0012541230 0.0033375215 -0.0145152839 -0.0053973817 -0.0218583279 0.0021745098 0.0023551668 -0.0006351186 0.0171292258 -0.0127670352 -0.0176203751 -0.0034181952 0.0040725039 0.0075342879 -0.0182821103 -0.0077448275 -0.0258766843 0.0583252878 -0.0410276256 -0.0639797577 0.0004903054 0.0010956113 0.0027659012 -0.0154997614 -0.0068750624 -0.0224126244 0.0098164611 -0.0059723240 -0.0103324054 0.0001837325 0.0000550887 0.0001801165 -0.0003253693 -0.0003470374 0.0001565014 -0.0020349982 -0.0005141886 -0.0024344864 0.0000058298 -0.0000619012 0.0000808952 -0.0000252485 0.0001387455 -0.0000015404 -0.0008419931 -0.0005329271 -0.0012746413 0.0004762300 -0.0010479515 0.0006512594 -0.0028862089 0.0044380379 0.0012216160 0.0068360030 -0.0222706880 0.0152036236 0.0306734459 -0.0296235821 -0.0314200443 -0.0001072648 -0.0004293821 0.0007901361 -0.0020157551 0.0084603891 -0.0049989273 0.0024078584 -0.0022808292 -0.0034077253 0.0082362564 -0.0036025414 0.0133396779 -0.0553657423 -0.0407775867 -0.1118442473 -0.0378424092 0.0831216739 -0.0452361523 0.0555917758 0.0102205681 0.0712143367 -0.1045507780 0.2739133700 -0.1267644766 -0.3300441927 -0.2047951017 -0.7742577339 -0.2344838270 -0.1921566159 0.0532266496 -0.0000013188 0.0000828800 -0.0000293159 -0.0000248192 0.0000640113 -0.0006932368 0.0008845257 -0.0003923991 0.0077360006 -0.0006018965 -0.0002085734 0.0000076946 0.0001732777 0.0006206730 0.0020266793 0.0038094988 -0.0008234073 0.0011078066 0.0033062673 0.0028475591 -0.0031592144 -0.0000876326 -0.0000675427 0.0000974548 0.0010111287 0.0008513217 -0.0011337775 -0.0000113686 -0.0000292758 -0.0000843216 -0.0000172961 -0.0000244972 0.0000167879 0.0003073034 0.0002954294 -0.0002622588 -0.0000135965 0.0000265139 0.0000127404 -0.0000399334 -0.0000034959 0.0000288874 0.0000262282 -0.0000078588 -0.0000262677 0.0000005044 -0.0000175699 0.0000174797 -0.0000319072 -0.0001033117 -0.0001802070 0.0010434570 0.0002855709 0.0015590577 0.0002810846 0.0002367485 -0.0001197301 -0.0009736943 0.0007363857 0.0009442586 0.0001671703 -0.0003286953 -0.0006546083 0.0023581505 0.0012609767 0.0032856358 -0.0042858877 0.0026430957 0.0044445974 -0.0002996191 -0.0002673294 -0.0006697147 0.0057561140 0.0017457976 0.0081351078 -0.0025409692 0.0021646191 0.0022590454 -0.0020789368 -0.0005812774 -0.0021440891 0.0013930261 0.0025801913 -0.0020338713 0.0215332972 0.0071377676 0.0268808122 0.0011967679 -0.0037253677 -0.0005651827 -0.0041575818 0.0033474809 -0.0035677701 0.0148642582 0.0108677230 0.0302038323 0.0177003377 -0.0442023211 0.0233125933 -0.0003929540 0.0002637832 -0.0001467770 0.0010267611 -0.0034929612 0.0027358310 0.0020904398 -0.0004652412 -0.0008896709 0.0016939972 -0.0016269207 -0.0016475702 -0.0006102295 0.0025442121 -0.0018240028 -0.0191702084 0.0166755614 0.0202358935 -0.0001555053 0.0000318868 -0.0001652943 0.0016671192 0.0011575255 0.0025733525 0.0003111729 -0.0010222571 0.0004523606 -0.0003543648 -0.0001312432 -0.0004317472 0.0003852488 -0.0010897321 0.0004679916 0.0020450993 0.0013220593 0.0051660651 0.0013299143 0.0012133779 -0.0001837741 0.0000381279 0.0000518578 0.0007709426 -0.0088523548 0.0062844591 -0.0848735852 0.1053413736 -0.0432757824 0.9863251540 0.0003249611 0.0001069812 0.0006160960 -0.0008513926 -0.0020728456 -0.0064651757 -0.0033777186 0.0007273345 -0.0009149517 0.0002483247 0.0000762122 -0.0000389838 0.0001393654 0.0000825340 -0.0000680604 -0.0017677875 -0.0011939560 0.0016321686 0.0000404484 -0.0000916112 -0.0000545879 0.0000969991 -0.0000757188 0.0000996059 0.0014627976 0.0006810658 0.0008262270 -0.0002751327 0.0000654742 -0.0003216804 0.0004483829 0.0006562531 -0.0008006146 -0.0003385599 0.0001790327 0.0006144477 0.0036677615 -0.0077150690 0.0029436599 0.0000431456 0.0000302250 -0.0000402623 0.0000881247 0.0000076769 0.0001065356 -0.0005295336 -0.0005079701 0.0001918936 -0.0001362784 0.0001163911 0.0001357484 0.0000413749 -0.0000490930 -0.0001470313 0.0001721881 -0.0000281052 0.0003970923 -0.0009019907 0.0006150116 0.0009978657 -0.0004068808 -0.0001931363 -0.0005147051 0.0047864724 0.0025229826 0.0065880511 0.0000071464 0.0001898065 0.0001350615 0.0001470666 0.0001185226 -0.0001134857 -0.0048015722 -0.0023286857 0.0011048987 -0.0002325494 -0.0000992437 -0.0007123496 0.0001198090 0.0000028981 -0.0000313327 -0.0000397854 0.0000012138 -0.0000546311 0.0002520777 0.0001935392 0.0006014206 0.0000801803 -0.0001928718 0.0001276772 0.0000140448 -0.0000143402 -0.0000261711 0.0000861691 -0.0001116531 0.0000430485 -0.0003033062 0.0002900951 0.0002887886 0.0000236897 -0.0000279619 -0.0000096115 -0.0000689662 0.0001883779 -0.0001129977 -0.0001735148 0.0001937612 0.0002262486 0.0000130114 -0.0000100890 0.0000189632 -0.0000674457 -0.0000321491 -0.0001414045 -0.0000806025 0.0001943289 -0.0001184911 0.0000034537 -0.0000186886 0.0000055450 -0.0000823990 0.0002140421 -0.0001079727 0.0000294044 0.0000177921 0.0000161814 0.0000038493 0.0000202541 -0.0000186492 0.0000575733 0.0000073447 0.0000430192 -0.0000785344 0.0000305523 -0.0005684522 0.0007304747 -0.0002117589 0.0066192549 -0.0012527229 -0.0046171728 -0.0918189628 0.1246986518 0.2819548391 0.8463090320 0.1397861996 -0.0292234239 0.0363481654 -0.2454099105 -0.2013359691 0.2205885203 0.0014460140 0.0008065447 -0.0091807574 -0.0343077226 -0.0316083302 0.0400554523 0.0163921915 0.0254264642 0.0641551800 0.0004650159 0.0000783923 -0.0002619982 -0.0051742498 -0.0043008004 0.0038911590 -0.0004083537 0.0007753055 0.0007207715 0.0005181638 -0.0003825306 -0.0001134996 -0.0003823828 0.0003356031 -0.0002459182 -0.0018636962 0.0021579474 -0.0005225791</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-1.13534865" y3="4.68524062" z3="-0.44582439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-1.72663836" y3="4.45273623" z3="-1.35022054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-0.35261065" y3="5.41088717" z3="-0.73424125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-1.81190651" y3="5.18730484" z3="0.27179379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-0.53738656" y3="3.41286618" z3="0.14981255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="0.0812686" y3="3.67420672" z3="1.03130999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="0.13219168" y3="2.93538367" z3="-0.58494797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-1.59194937" y3="2.38378884" z3="0.55821142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-2.19703362" y3="2.12768831" z3="-0.3285424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.28070044" y3="2.83908036" z3="1.29818358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.00266045" y3="1.10215025" z3="1.13601965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-1.79333534" y3="0.45138908" z3="1.56567958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.32499874" y3="1.34062258" z3="1.97860725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-0.25698148" y3="0.22949358" z3="0.12118294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="1.27827593" y3="-1.75914708" z3="-0.18407988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.79531058" y3="-2.08865141" z3="-1.12347302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="1.55666329" y3="-2.68469222" z3="0.36086285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="2.5580895" y3="-1.00233601" z3="-0.57964596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="2.25051646" y3="-0.12228987" z3="-1.17362084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="3.17056502" y3="-1.64459789" z3="-1.24400191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="3.39587718" y3="-0.54326824" z3="0.61249515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="3.77249397" y3="-1.42905866" z3="1.16483247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="2.7325285" y3="-0.0026426" z3="1.31107782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="4.57448466" y3="0.36740938" z3="0.25578427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="5.059622" y3="0.7118847" z3="1.18915713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="4.18476787" y3="1.27583171" z3="-0.24139417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="5.62997561" y3="-0.28113878" z3="-0.63976362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="6.01541324" y3="-1.21286884" z3="-0.18499975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="5.21549876" y3="-0.54218814" z3="-1.62873711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="6.48922707" y3="0.39419934" z3="-0.80511254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-0.27414026" y3="0.5259979" z3="-1.09363743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.29836096" y3="-0.96445525" z3="0.64288658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42796591" y3="-1.00057317" z3="1.73098868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-3.676026" y3="-0.38695632" z3="-0.92130484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-3.52496529" y3="-0.04722014" z3="0.11488666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-4.71628947" y3="-0.15617876" z3="-1.22121819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-2.98354214" y3="0.18463536" z3="-1.56429622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-3.38649233" y3="-1.88346266" z3="-1.01622275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-4.03089221" y3="-2.42654378" z3="-0.30086393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-3.65659354" y3="-2.24077553" z3="-2.0298642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-1.92119037" y3="-2.24189993" z3="-0.7540651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-1.28367345" y3="-1.58151369" z3="-1.3708936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-1.72910583" y3="-3.27829118" z3="-1.09528738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-1.51978416" y3="-2.16434512" z3="0.73497482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-2.30215893" y3="-1.71653822" z3="1.58917256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-0.81870584" y3="-2.99141917" z3="1.02359938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-1.1353,4.6852,-.4458;-1.7266,4.4527,-1.3502;-.3526,5.4109,-.7342;-1.8119,5.1873,.2718;-.5374,3.4129,.1498;.0813,3.6742,1.0313;.1322,2.9354,-.5849;-1.5919,2.3838,.5582;-2.197,2.1277,-.3285;-2.2807,2.8391,1.2982;-1.0027,1.1022,1.136;-1.7933,.4514,1.5657;-.325,1.3406,1.9786;-.257,.2295,.1212;1.2783,-1.7591,-.1841;.7953,-2.0887,-1.1235;1.5567,-2.6847,.3609;2.5581,-1.0023,-.5796;2.2505,-.1223,-1.1736;3.1706,-1.6446,-1.244;3.3959,-.5433,.6125;3.7725,-1.4291,1.1648;2.7325,-.0026,1.3111;4.5745,.3674,.2558;5.0596,.7119,1.1892;4.1848,1.2758,-.2414;5.63,-.2811,-.6398;6.0154,-1.2129,-.185;5.2155,-.5422,-1.6287;6.4892,.3942,-.8051;-.2741,.526,-1.0936;.2984,-.9645,.6429;.428,-1.0006,1.731;-3.676,-.387,-.9213;-3.525,-.0472,.1149;-4.7163,-.1562,-1.2212;-2.9835,.1846,-1.5643;-3.3865,-1.8835,-1.0162;-4.0309,-2.4265,-.3009;-3.6566,-2.2408,-2.0299;-1.9212,-2.2419,-.7541;-1.2837,-1.5815,-1.3709;-1.7291,-3.2783,-1.0953;-1.5198,-2.1643,.735;-2.3022,-1.7165,1.5892;-.8187,-2.9914,1.0236;</scalar>
</formula>
</molecule>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="-1.13534865" y3="4.68524062" z3="-0.44582439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-1.72663836" y3="4.45273623" z3="-1.35022054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-0.35261065" y3="5.41088717" z3="-0.73424125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-1.81190651" y3="5.18730484" z3="0.27179379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-0.53738656" y3="3.41286618" z3="0.14981255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="0.0812686" y3="3.67420672" z3="1.03130999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="0.13219168" y3="2.93538367" z3="-0.58494797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-1.59194937" y3="2.38378884" z3="0.55821142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-2.19703362" y3="2.12768831" z3="-0.3285424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.28070044" y3="2.83908036" z3="1.29818358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.00266045" y3="1.10215025" z3="1.13601965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a12" x3="-1.79333534" y3="0.45138908" z3="1.56567958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-0.32499874" y3="1.34062258" z3="1.97860725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a14" x3="-0.25698148" y3="0.22949358" z3="0.12118294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="1.27827593" y3="-1.75914708" z3="-0.18407988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.79531058" y3="-2.08865141" z3="-1.12347302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="1.55666329" y3="-2.68469222" z3="0.36086285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="2.5580895" y3="-1.00233601" z3="-0.57964596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="2.25051646" y3="-0.12228987" z3="-1.17362084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="3.17056502" y3="-1.64459789" z3="-1.24400191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="3.39587718" y3="-0.54326824" z3="0.61249515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="3.77249397" y3="-1.42905866" z3="1.16483247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="2.7325285" y3="-0.0026426" z3="1.31107782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="4.57448466" y3="0.36740938" z3="0.25578427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="5.059622" y3="0.7118847" z3="1.18915713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="4.18476787" y3="1.27583171" z3="-0.24139417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a27" x3="5.62997561" y3="-0.28113878" z3="-0.63976362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a28" x3="6.01541324" y3="-1.21286884" z3="-0.18499975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a29" x3="5.21549876" y3="-0.54218814" z3="-1.62873711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="6.48922707" y3="0.39419934" z3="-0.80511254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-0.27414026" y3="0.5259979" z3="-1.09363743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.29836096" y3="-0.96445525" z3="0.64288658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.42796591" y3="-1.00057317" z3="1.73098868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a34" x3="-3.676026" y3="-0.38695632" z3="-0.92130484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-3.52496529" y3="-0.04722014" z3="0.11488666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a36" x3="-4.71628947" y3="-0.15617876" z3="-1.22121819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="-2.98354214" y3="0.18463536" z3="-1.56429622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a38" x3="-3.38649233" y3="-1.88346266" z3="-1.01622275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a39" x3="-4.03089221" y3="-2.42654378" z3="-0.30086393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-3.65659354" y3="-2.24077553" z3="-2.0298642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a41" x3="-1.92119037" y3="-2.24189993" z3="-0.7540651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a42" x3="-1.28367345" y3="-1.58151369" z3="-1.3708936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a43" x3="-1.72910583" y3="-3.27829118" z3="-1.09528738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a44" x3="-1.51978416" y3="-2.16434512" z3="0.73497482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a45" x3="-2.30215893" y3="-1.71653822" z3="1.58917256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a46" x3="-0.81870584" y3="-2.99141917" z3="1.02359938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a11 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a14 a31" order="S"/>
                        <bond atomRefs2="a14 a32" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a32" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a27 a30" order="S"/>
                        <bond atomRefs2="a27 a29" order="S"/>
                        <bond atomRefs2="a27 a28" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a38" order="S"/>
                        <bond atomRefs2="a34 a36" order="S"/>
                        <bond atomRefs2="a34 a37" order="S"/>
                        <bond atomRefs2="a38 a40" order="S"/>
                        <bond atomRefs2="a38 a41" order="S"/>
                        <bond atomRefs2="a38 a39" order="S"/>
                        <bond atomRefs2="a41 a44" order="S"/>
                        <bond atomRefs2="a41 a42" order="S"/>
                        <bond atomRefs2="a41 a43" order="S"/>
                        <bond atomRefs2="a44 a46" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                     </bondArray>
                     <formula concise="C15H29O2">
                        <atomArray count="15 29 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">212.15929999999994</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-1.1353,4.6852,-.4458;-1.7266,4.4527,-1.3502;-.3526,5.4109,-.7342;-1.8119,5.1873,.2718;-.5374,3.4129,.1498;.0813,3.6742,1.0313;.1322,2.9354,-.5849;-1.5919,2.3838,.5582;-2.197,2.1277,-.3285;-2.2807,2.8391,1.2982;-1.0027,1.1022,1.136;-1.7933,.4514,1.5657;-.325,1.3406,1.9786;-.257,.2295,.1212;1.2783,-1.7591,-.1841;.7953,-2.0887,-1.1235;1.5567,-2.6847,.3609;2.5581,-1.0023,-.5796;2.2505,-.1223,-1.1736;3.1706,-1.6446,-1.244;3.3959,-.5433,.6125;3.7725,-1.4291,1.1648;2.7325,-.0026,1.3111;4.5745,.3674,.2558;5.0596,.7119,1.1892;4.1848,1.2758,-.2414;5.63,-.2811,-.6398;6.0154,-1.2129,-.185;5.2155,-.5422,-1.6287;6.4892,.3942,-.8051;-.2741,.526,-1.0936;.2984,-.9645,.6429;.428,-1.0006,1.731;-3.676,-.387,-.9213;-3.525,-.0472,.1149;-4.7163,-.1562,-1.2212;-2.9835,.1846,-1.5643;-3.3865,-1.8835,-1.0162;-4.0309,-2.4265,-.3009;-3.6566,-2.2408,-2.0299;-1.9212,-2.2419,-.7541;-1.2837,-1.5815,-1.3709;-1.7291,-3.2783,-1.0953;-1.5198,-2.1643,.735;-2.3022,-1.7165,1.5892;-.8187,-2.9914,1.0236;</scalar>
</formula>
</molecule>
               </property>
               <property dictRef="cc:thermochemistry">
                  <module cmlx:templateRef="thermo">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                     <list cmlx:templateRef="state"/>
                     <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505860400</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.418091544993</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-738.306414315407</scalar>
                     <scalar cmlx:templateRef="thermal-tr" dataType="xsd:double" dictRef="cc:ethermo.trans" units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-rot" dataType="xsd:double" dictRef="cc:ethermo.rot" units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-vib" dataType="xsd:double" dictRef="cc:ethermo.vib" units="nonsi:hartree">0.435943806269</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.439720544546</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-738.284785315854</scalar>
                     <scalar cmlx:templateRef="entropy-el" dataType="xsd:double" dictRef="cc:s.elect" units="nonsi2:hartree.K-1">0.000000000000</scalar>
                     <scalar cmlx:templateRef="entropy-tr" dataType="xsd:double" dictRef="cc:s.trans" units="nonsi2:hartree.K-1">0.000067476929</scalar>
                     <scalar cmlx:templateRef="entropy-rot" dataType="xsd:double" dictRef="cc:s.rot" units="nonsi2:hartree.K-1">0.000053959582</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber" units="nonsi2:hartree.K-1">1</scalar>
                     <list cmlx:templateRef="entropy-rot"/>
                     <scalar cmlx:templateRef="entropy-vib" dataType="xsd:double" dictRef="cc:s.vib" units="nonsi2:hartree.K-1">0.000117585169</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.368456230727</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-738.356049629673</scalar>
                  </module>
                  <module cmlx:templateRef="thermo">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                     <list cmlx:templateRef="state"/>
                     <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505860400</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.418091544993</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-738.306414315407</scalar>
                     <scalar cmlx:templateRef="thermal-tr" dataType="xsd:double" dictRef="cc:ethermo.trans" units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-rot" dataType="xsd:double" dictRef="cc:ethermo.rot" units="nonsi:hartree">0.001416276854</scalar>
                     <scalar cmlx:templateRef="thermal-vib" dataType="xsd:double" dictRef="cc:ethermo.vib" units="nonsi:hartree">0.435943806269</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.439720544546</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-738.284785315854</scalar>
                     <scalar cmlx:templateRef="entropy-el" dataType="xsd:double" dictRef="cc:s.elect" units="nonsi2:hartree.K-1">0.000000000000</scalar>
                     <scalar cmlx:templateRef="entropy-tr" dataType="xsd:double" dictRef="cc:s.trans" units="nonsi2:hartree.K-1">0.000067476929</scalar>
                     <scalar cmlx:templateRef="entropy-rot" dataType="xsd:double" dictRef="cc:s.rot" units="nonsi2:hartree.K-1">0.000053959582</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber" units="nonsi2:hartree.K-1">1</scalar>
                     <list cmlx:templateRef="entropy-rot"/>
                     <scalar cmlx:templateRef="entropy-vib" dataType="xsd:double" dictRef="cc:s.vib" units="nonsi2:hartree.K-1">0.000117585169</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.368456230727</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-738.356049629673</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C" id="a1" x3="-2.78837184" y3="-1.27330691" z3="1.91143212">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a2" x3="-3.81274762" y3="-1.6798261" z3="1.99516154">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a3" x3="-2.14167174" y3="-2.07414527" z3="1.50786938">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a4" x3="-2.81672872" y3="-0.45578825" z3="1.16602352">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a5" x3="-2.293594" y3="-0.77377071" z3="3.2667687">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a6" x3="-1.25276131" y3="-0.40676757" z3="3.16653488">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a7" x3="-2.27420657" y3="-1.60791955" z3="3.98789105">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a8" x3="-3.16657632" y3="0.33383619" z3="3.85753203">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a9" x3="-4.19812367" y3="-0.04553764" z3="3.95769366">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a10" x3="-3.20389131" y3="1.18709324" z3="3.15057574">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a11" x3="-2.69074049" y3="0.8249768" z3="5.21991318">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a12" x3="-3.24846016" y3="1.73008738" z3="5.54083084">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a13" x3="-1.62941461" y3="1.13552892" z3="5.16340594">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a14" x3="-2.85946267" y3="-0.1878948" z3="6.35705183">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C" id="a15" x3="-2.27951613" y3="-0.73816784" z3="8.75825026">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a16" x3="-3.25977439" y3="-1.20494596" z3="8.97155764">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a17" x3="-1.98416694" y3="-0.20368911" z3="9.68463963">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a18" x3="-1.28523852" y3="-1.88298229" z3="8.4975393">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a19" x3="-1.64183114" y3="-2.43318672" z3="7.60759249">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a20" x3="-1.31330855" y3="-2.59116282" z3="9.34999916">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a21" x3="0.14899946" y3="-1.4120604" z3="8.26296343">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a22" x3="0.53681157" y3="-0.92960585" z3="9.1840393">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a23" x3="0.13022775" y3="-0.62608154" z3="7.48694142">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a24" x3="1.12081723" y3="-2.51031704" z3="7.82126837">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a25" x3="2.1031748" y3="-2.05316979" z3="7.59500217">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a26" x3="0.75812722" y3="-2.94552187" z3="6.87082142">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a27" x3="1.32014785" y3="-3.63036537" z3="8.84226833">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a28" x3="1.6505767" y3="-3.2229671" z3="9.81609412">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a29" x3="0.38439227" y3="-4.1887131" z3="9.01724182">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a30" x3="2.08312667" y3="-4.35463633" z3="8.5031079">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a31" x3="-3.46426002" y3="-1.26362496" z3="6.15451155">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a32" x3="-2.42012165" y3="0.25263509" z3="7.62945373">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a33" x3="-1.73096766" y3="1.10535031" z3="7.63286833">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a34" x3="-6.31961746" y3="0.7866844" z3="5.87312936">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a35" x3="-5.55009757" y3="1.49692353" z3="5.53352319">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a36" x3="-7.26111199" y3="0.99917112" z3="5.33110368">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a37" x3="-5.97635679" y3="-0.22911975" z3="5.60854873">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a38" x3="-6.50367072" y3="0.91565866" z3="7.38371217">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a39" x3="-6.76193403" y3="1.96127686" z3="7.63252772">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a40" x3="-7.3605893" y3="0.2875784" z3="7.69883414">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a41" x3="-5.27313063" y3="0.49034415" z3="8.18943694">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a42" x3="-4.93803337" y3="-0.49717824" z3="7.82130035">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a43" x3="-5.55775451" y3="0.35379938" z3="9.25140714">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a44" x3="-4.11951677" y3="1.51597517" z3="8.14896857">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O" id="a45" x3="-4.17134755" y3="2.51293475" z3="7.41026685">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H" id="a46" x3="-3.60127358" y3="1.60305476" z3="9.14028464">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
               </bondArray>
               <formula concise="C15H29O2">
                  <atomArray count="15 29 2" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">212.15929999999994</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/C11H21O.C4H8O/c1-3-5-7-8-10-11(12)9-6-4-2;1-2-3-4-5/h10H,3-9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,32,14,31;34,38,41,44,45/CRV:10.3,11.3,12.1;4.3,5.1/rA:46nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s14s15;s32;;s34;s34;s34;s34;s38;s38;s38;s41;s41;s41;s44;s44;/rC:-2.7884,-1.2733,1.9114;-3.8127,-1.6798,1.9952;-2.1417,-2.0741,1.5079;-2.8167,-.4558,1.166;-2.2936,-.7738,3.2668;-1.2528,-.4068,3.1665;-2.2742,-1.6079,3.9879;-3.1666,.3338,3.8575;-4.1981,-.0455,3.9577;-3.2039,1.1871,3.1506;-2.6907,.825,5.2199;-3.2485,1.7301,5.5408;-1.6294,1.1355,5.1634;-2.8595,-.1879,6.3571;-2.2795,-.7382,8.7583;-3.2598,-1.2049,8.9716;-1.9842,-.2037,9.6846;-1.2852,-1.883,8.4975;-1.6418,-2.4332,7.6076;-1.3133,-2.5912,9.35;.149,-1.4121,8.263;.5368,-.9296,9.184;.1302,-.6261,7.4869;1.1208,-2.5103,7.8213;2.1032,-2.0532,7.595;.7581,-2.9455,6.8708;1.3201,-3.6304,8.8423;1.6506,-3.223,9.8161;.3844,-4.1887,9.0172;2.0831,-4.3546,8.5031;-3.4643,-1.2636,6.1545;-2.4201,.2526,7.6295;-1.731,1.1054,7.6329;-6.3196,.7867,5.8731;-5.5501,1.4969,5.5335;-7.2611,.9992,5.3311;-5.9764,-.2291,5.6085;-6.5037,.9157,7.3837;-6.7619,1.9613,7.6325;-7.3606,.2876,7.6988;-5.2731,.4903,8.1894;-4.938,-.4972,7.8213;-5.5578,.3538,9.2514;-4.1195,1.516,8.149;-4.1713,2.5129,7.4103;-3.6013,1.6031,9.1403;</scalar>
</formula>
</molecule>
            <module dictRef="energy.info" id="energy.info1">
               <scalar cmlx:templateRef="symmetry-group" dataType="xsd:string" dictRef="cc:pointgroup">--</scalar>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-738.724505860400</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array cmlx:templateRef="gradient-vector" dataType="xsd:double" dictRef="cc:grad" size="138">0.000000627782 -0.000005199512 -0.000000423740 -0.000002541271 0.000001725821 0.000001821873 -0.000006129219 0.000004840495 0.000006153187 -0.000001542749 0.000000227499 -0.000002015907 -0.000000162433 0.000002323916 -0.000000448841 0.000002933650 0.000004346545 -0.000001098485 0.000002537572 0.000000577689 0.000002927903 -0.000001140090 -0.000000205357 -0.000002917831 -0.000000647813 0.000000149885 0.000001273705 -0.000000813234 -0.000000510295 0.000002988223 -0.000000632916 0.000000043029 0.000003113155 -0.000000406875 0.000000941782 0.000005746786 0.000005285402 0.000001083150 0.000001045826 0.000004311366 0.000009388553 0.000002593590 -0.000010444082 -0.000004201524 0.000006753710 0.000009383466 0.000005246109 0.000004379068 0.000003444488 -0.000002106751 -0.000002063184 0.000002489293 0.000009826351 -0.000000897463 -0.000011947025 0.000003121504 -0.000002162146 -0.000001827470 -0.000001253873 -0.000002454415 -0.000002620942 0.000010666745 0.000008340024 -0.000004397097 -0.000003484096 -0.000007976535 -0.000000985596 0.000004190351 -0.000001138264 -0.000001009538 -0.000006243011 -0.000002475422 0.000000283149 0.000003302472 -0.000000444945 0.000005347341 -0.000004611251 -0.000003613583 -0.000013123707 0.000005946500 -0.000008126805 -0.000002728356 0.000009487478 0.000009178791 -0.000003238330 -0.000007355604 -0.000007500242 0.000015977160 -0.000005064525 -0.000001466623 0.000002623712 -0.000018675442 -0.000004236298 -0.000005536672 0.000009416223 0.000010781140 -0.000004509328 0.000002057200 0.000003439548 -0.000020771295 0.000075406646 0.000019612627 0.000000016303 -0.000012259967 -0.000000570333 0.000002387003 0.000002110513 0.000012581106 0.000015001574 -0.000061646013 -0.000031197392 -0.000011902454 0.000061497415 0.000020429491 0.000011567338 -0.000054665519 -0.000017907091 -0.000004818441 0.000003665038 0.000009680399 0.000006967781 -0.000005989903 0.000019368385 0.000004382830 -0.000027120692 -0.000010127349 0.000004175660 0.000014286583 -0.000028622421 0.000010809837 -0.000007575751 -0.000021603891 0.000004697503 -0.000013763923 -0.000003155356 -0.000001373275 -0.000003942484 0.000012436026</array>
               <array cmlx:templateRef="hess" dataType="xsd:double" dictRef="cc:hessianmatrix" size="9591">0.567908354 -0.011337472 0.567477107 -0.027149905 -0.020650594 0.508407774 -0.275447106 -0.089436583 0.022314918 0.294498824 -0.089067050 -0.085374992 0.009398558 0.098520104 0.085472310 0.023829405 0.010068858 -0.049922849 -0.021570708 -0.007743435 -0.141728806 0.112906458 0.055740912 -0.014414649 0.022213456 0.112434040 -0.186233475 -0.066389926 -0.007430974 0.010529110 0.054914735 -0.065646044 -0.080467198 0.000930409 -0.001701263 -0.050049313 0.003547593 -0.002035647 0.003201759 -0.022261602 0.003552119 -0.194618200 0.129248121 0.001606991 -0.007471533 -0.002036345 0.128361906 -0.161380567 -0.000447382 0.000642885 -0.098053517 -0.013815828 -0.039853257 -0.010391107 -0.009545678 -0.014716599 -0.095506074 -0.036134859 -0.003676059 -0.003974499 -0.040448651 -0.034911252 -0.186132954 0.000909323 0.001285383 -0.008963722 -0.003103378 0.001615218 0.000495998 -0.000491895 -0.009746217 -0.004323588 0.001332759 -0.000460367 0.000231722 -0.029747265 -0.011491532 0.001997758 -0.002571421 -0.002264207 -0.000597683 0.009292094 -0.007753382 0.000166829 0.000717526 -0.000160975 0.010628170 -0.010326077 0.000290203 0.000480002 -0.000606507 0.020966725 -0.019223726 -0.000006551 0.000087989 0.008051417 -0.008928128 -0.002588288 0.000856432 -0.001076144 0.005118656 -0.010010199 -0.007290582 0.000824617 0.000200732 0.018467738 -0.025174741 -0.015331983 0.000638268 0.000813055 0.000844927 -0.000757441 -0.000756487 0.000506317 0.000489637 0.000683924 0.001113187 0.000636091 -0.000548806 -0.000059019 0.000839882 0.000739325 0.000412376 -0.000256040 -0.000527195 0.000277979 -0.000755222 -0.000746010 -0.000018236 -0.000026138 -0.000241043 0.000595720 0.001357254 -0.000004657 -0.000032741 0.000044166 -0.000742209 0.001487219 -0.000041213 0.000016123 -0.003213178 0.003441195 0.001312438 0.000365164 0.000197253 0.002825600 -0.003451696 -0.001123291 0.000170339 -0.000035310 0.000765683 -0.001237642 0.000205081 -0.000034919 -0.000109390 0.000716183 -0.000397165 -0.000276480 -0.000000727 0.000021870 0.000403451 -0.000101035 -0.000008348 -0.000005155 0.000002202 0.001019086 -0.001187184 -0.000241921 -0.000059683 -0.000015156 0.000508895 0.000106882 0.000015145 0.000018073 0.000160674 0.000205624 -0.000007448 -0.000052990 0.000147489 0.000083628 -0.000025914 0.000160997 0.000026114 0.000179920 0.000114730 0.000176979 -0.000668431 -0.000026619 -0.000090309 0.000045321 0.000495004 -0.001877836 -0.000162365 -0.000207320 0.000119311 -0.000592218 0.000011208 0.000018194 0.000192764 0.000049950 0.000016491 0.000023017 -0.000004955 -0.000011536 -0.000011206 0.000052365 -0.000025514 0.000000100 -0.000008047 0.000008769 -0.000009060 -0.000035330 -0.000015206 0.000011415 -0.000000463 -0.000009005 0.000000373 -0.000004447 0.000012017 0.000002261 -0.000019884 0.000010727 -0.000003415 0.000006544 0.000001609 0.000009094 -0.000015819 0.000001651 -0.000006728 0.000000460 0.000008188 -0.000005094 0.000003459 -0.000002242 0.000001157 -0.000012610 0.000022085 0.000003234 0.000001703 -0.000004955 0.000033794 -0.000014054 0.000004125 -0.000009029 0.000001511 -0.000011174 -0.000014168 0.000006979 -0.000004255 0.000003285 0.000001538 -0.000038725 0.000000810 0.000000018 0.000006731 0.000015310 -0.000053056 0.000002044 -0.000003387 0.000009709 -0.000008112 0.000010851 -0.000001340 -0.000005558 -0.000004132 0.000006540 0.000030674 0.000004868 -0.000010877 -0.000002684 -0.000007725 -0.000010789 0.000001457 0.000006647 -0.000000384 0.000021068 -0.000002806 -0.000003832 0.000000448 0.000003022 -0.000017545 0.000015601 -0.000005985 0.000009797 -0.000002197 0.000009563 0.000020010 0.000007335 -0.000014748 -0.000002349 -0.000002529 -0.000009922 -0.000000072 -0.000000854 0.000000556 -0.000035013 0.000016283 0.000016238 -0.000012980 -0.000009183 0.000016365 -0.000004673 -0.000015637 0.000018809 0.000004412 0.000001891 0.000010057 0.000001849 0.000001399 -0.000001186 0.000007379 0.000000181 -0.000002774 0.000002322 -0.000000446 -0.000005516 0.000012295 0.000009570 -0.000010270 -0.000005126 -0.000016223 -0.000002723 0.000000150 0.000001857 -0.000002883 0.000021541 -0.000024614 -0.000014076 0.000018156 0.000007596 0.000011983 -0.000010274 -0.000003748 0.000000868 0.000002621 -0.000002699 -0.000014775 -0.000004112 0.000006251 0.000003966 0.000004817 -0.000014692 -0.000001581 0.000002666 0.000005712 0.000004181 -0.000027995 -0.000001404 0.000009328 0.000009705 0.000017488 0.000007749 -0.000004612 0.000009676 0.000002564 -0.000002067 0.000005104 -0.000000293 0.000003313 -0.000001520 0.000003156 0.000007789 -0.000002888 0.000002856 -0.000000779 -0.000002258 -0.000015345 0.000002893 -0.000006412 -0.000000165 -0.000016379 0.000022576 0.000012178 -0.000016385 -0.000006881 0.000000461 0.000008209 0.000001639 -0.000002005 -0.000004638 0.000005818 0.000000565 -0.000000201 -0.000002944 0.000001126 -0.000006465 0.000010606 0.000002802 -0.000005877 -0.000003485 -0.000005881 0.000006797 0.000000450 -0.000000506 -0.000002522 -0.000001870 0.000002267 0.000000700 -0.000000606 -0.000001676 0.000003654 -0.000003957 -0.000001563 0.000002548 0.000000245 -0.000000564 0.000004868 0.000004400 -0.000006694 -0.000003591 0.000000686 -0.000001454 -0.000002505 0.000004992 0.000000198 0.000006080 0.000000557 -0.000001326 0.000003484 0.000001674 -0.000003357 -0.000001569 0.000002896 -0.000005010 0.000000928 0.000000798 0.000004224 0.000005024 -0.000004627 0.000000474 -0.000000976 -0.000004595 -0.000005240 0.000004028 0.000000639 -0.000001454 0.000000806 0.000000446 0.000000477 0.000000508 -0.000389571 -0.000260145 0.000220758 0.000187990 0.000096603 -0.000331579 0.001414703 0.000066209 0.000181952 -0.000153410 0.000251050 0.000926323 0.000080386 -0.000057605 -0.000075701 -0.000023881 -0.000071372 -0.000057361 0.000072087 0.000041359 -0.000132618 0.000351514 0.000105739 0.000000324 -0.000056965 0.000266017 0.000045023 0.000058151 -0.000081853 -0.000022019 -0.000019592 0.000082437 0.000022951 -0.000001074 -0.000006847 0.000003267 0.000023268 -0.000014817 0.000017506 0.000003338 -0.000012674 0.000039861 0.000004606 0.000009975 0.000004094 -0.000007684 -0.000018710 -0.000000092 0.000012642 -0.000002229 0.000062543 -0.000000478 -0.000007351 -0.000027666 -0.000008488 -0.000029969 -0.000015036 0.000028264 -0.000001327 0.000045129 0.000057318 -0.000039532 0.000000684 -0.000017967 -0.000015782 -0.000053726 0.000029975 -0.000033683 0.000019283 -0.000017637 0.000002518 0.000003781 -0.000001724 -0.000005571 -0.000021185 -0.000062081 0.000009813 -0.000025453 0.000025938 0.000026861 0.000016310 0.000014643 0.000004822 -0.000006458 -0.000007496 -0.000002761 -0.000003371 0.000001891 0.000002712 0.000000966 0.000054861 -0.000004737 0.000025946 -0.000025019 -0.000004447 -0.000002397 -0.000029226 0.000038554 -0.000003891 0.000027393 0.000037725 0.000042384 -0.000014893 -0.000013046 -0.000034736 0.000003985 0.000004071 -0.000014932 -0.000002184 -0.000000132 -0.000028687 -0.000009483 0.000003730 0.000009346 0.000009736 0.000018170 0.000026193 -0.000006723 -0.000009063 -0.000030313 0.000007906 -0.000000531 -0.000002504 -0.000003542 -0.000004252 0.000003835 -0.000005953 0.000006527 -0.000001085 0.000002993 -0.000017943 -0.000019438 0.000009030 0.000008624 0.000018539 -0.000028022 0.000005390 -0.000005096 0.000014941 -0.000002442 -0.000008319 0.000006055 -0.000002658 0.000004374 -0.000003604 0.000012486 -0.000013582 0.000007047 -0.000005152 0.000014312 -0.000003112 0.000005346 -0.000005622 0.000010830 -0.000003772 -0.000019443 0.000022733 -0.000004354 0.000007123 0.000004938 0.000001874 0.000031717 0.000000412 -0.000007690 -0.000001612 0.000019236 0.000029417 -0.000000669 -0.000008568 -0.000004972 -0.000001693 -0.000009012 0.000002988 -0.000000203 0.000002710 -0.000015076 -0.000017928 -0.000003819 0.000004305 0.000000558 -0.000026254 -0.000004523 -0.000004081 0.000013463 0.000011710 -0.000001372 0.000002643 0.000000021 0.000001340 0.000001042 0.000007320 -0.000013477 0.000005264 -0.000001979 0.000012465 0.000140270 0.000163567 0.000057159 -0.000107010 -0.000091034 0.000093912 -0.000371689 -0.000087163 0.000029735 0.000073351 -0.000113989 0.000166824 0.000004540 0.000029545 -0.000022286 -0.000156863 0.000060390 -0.000009867 0.000067135 0.000047360 -0.000036077 0.000201897 0.000077020 -0.000022821 -0.000049146 0.000207028 -0.000358858 -0.000037320 -0.000026300 0.000050901 -0.000016484 -0.000048269 -0.000009357 0.000015470 0.000017322 -0.000005989 0.000026473 0.000006690 0.000000908 -0.000001303 0.000043982 0.000004546 0.000014442 -0.000015281 0.000002858 0.052819693 0.009136387 0.147039924 0.004972644 -0.122612747 0.196502099 -0.001758499 -0.058763049 0.075047663 0.085768557 0.019790839 0.000113742 0.013526349 -0.014012576 0.046728386 0.005763108 -0.001611241 -0.014915070 0.014539703 -0.003548510 -0.001675470 -0.000821401 -0.009522716 0.008727424 0.005578885 -0.029200610 0.007672857 0.006075480 0.020141376 -0.000309724 -0.011949082 -0.010534446 -0.007039584 -0.021292665 0.009524549 0.003316063 -0.004550723 -0.001511093 -0.008793992 -0.008479952 -0.002182415 0.000745396 -0.000288668 -0.000342593 0.000128311 -0.002561138 -0.000045970 -0.000197957 0.000242101 0.000680486 -0.005416979 0.000600117 0.000217922 0.001202745 0.000278992 0.000022696 0.000259877 -0.000292185 0.000568587 -0.000082653 0.000566073 0.000275770 0.000722763 0.000597518 -0.001174603 0.001244667 0.000694426 -0.000005651 0.000748249 -0.002070716 -0.001113449 -0.000485175 -0.002061318 -0.004125200 0.000027752 0.000609382 -0.000217839 0.000329084 -0.000352887 -0.000128557 0.001459385 -0.001459373 -0.002597678 -0.005286065 0.000857340 0.000770331 0.000410233 0.000140660 -0.000225505 -0.000027394 -0.000097284 -0.000059939 0.000061415 0.000343101 -0.000139502 -0.000220126 -0.000299496 0.000096077 0.000197784 0.000050020 0.000156906 -0.000144685 -0.000202577 -0.000101613 0.000288742 0.000017537 0.000019545 0.000516161 -0.000264802 -0.000122509 -0.000041989 -0.000003956 0.000145304 0.000252363 0.000114366 -0.000093171 0.000534731 0.000937055 0.001386090 -0.000122403 0.000120940 -0.000323522 -0.000100831 -0.001367936 0.000085212 -0.000185905 -0.000392783 -0.000011178 -0.000037387 0.000070828 0.000093467 -0.000041152 -0.000140316 -0.000287153 -0.000002248 0.000033325 -0.000036481 -0.000032831 -0.000104744 -0.000006626 0.000032702 -0.000118205 -0.000227502 -0.000533909 0.000024512 0.000238800 0.000017689 -0.000083433 -0.000105605 -0.000042977 0.000118539 0.000043004 -0.000003611 -0.000004429 0.000004086 0.000057983 0.000121834 0.000010444 0.000006824 -0.000040100 -0.000133907 -0.000043801 -0.000037222 -0.000055412 0.000036638 -0.000259106 -0.000037936 -0.000268595 -0.000407237 0.000128736 0.000025928 -0.000118773 0.000344278 0.000557556 0.000136910 -0.000002190 -0.000003359 -0.000009699 -0.000002880 -0.000007185 0.000009011 0.000015290 -0.000047586 -0.000051626 -0.000006494 -0.000007897 -0.000019859 0.000029827 0.000037201 0.000010163 0.000004037 -0.000004082 0.000006266 0.000007159 0.000003133 -0.000000648 -0.000004535 0.000016213 0.000018947 0.000002203 -0.000006106 0.000000411 -0.000002499 -0.000006115 0.000000042 0.000002818 0.000004584 -0.000010638 -0.000011944 -0.000001130 0.000000539 -0.000002292 0.000007384 0.000013009 -0.000001730 0.000003508 0.000009188 -0.000030899 -0.000029638 -0.000006451 -0.000003866 0.000004495 0.000001057 -0.000006830 0.000003599 -0.000000868 -0.000000474 0.000008139 0.000001752 0.000006266 -0.000000621 0.000004924 -0.000008507 -0.000026965 0.000006512 -0.000008296 -0.000004756 0.000011719 0.000018147 -0.000002417 -0.000000980 0.000009140 -0.000016513 -0.000015254 -0.000009043 0.000001233 -0.000005529 0.000009568 0.000012040 0.000003863 0.000005391 0.000003493 -0.000013812 -0.000014755 -0.000003504 -0.000000483 -0.000009492 0.000020088 0.000024425 0.000003043 -0.000002714 0.000010887 -0.000018018 -0.000016692 -0.000008311 -0.000002929 -0.000003529 0.000010883 0.000012173 0.000001355 -0.000016799 0.000001872 0.000002550 0.000002239 0.000000034 0.000014082 -0.000008588 0.000009343 0.000013554 0.000003164 0.000002606 0.000002223 -0.000008639 -0.000006454 -0.000002352 0.000004027 -0.000002045 0.000002191 0.000006662 -0.000000866 -0.000005810 0.000003254 -0.000003251 0.000003216 -0.000005867 -0.000002043 -0.000005809 0.000018397 0.000018981 0.000006045 0.000013559 -0.000006000 -0.000000547 -0.000003976 0.000005246 0.000003601 0.000001475 -0.000004015 -0.000007319 0.000001646 0.000003650 -0.000001142 0.000005141 -0.000005892 0.000008640 0.000004604 0.000006124 -0.000012895 -0.000026154 0.000004803 0.000004367 0.000005630 -0.000017441 -0.000038651 0.000008352 0.000007669 0.000001024 -0.000018844 -0.000012362 -0.000006214 -0.000000105 -0.000002273 -0.000000896 0.000003185 -0.000000911 0.000001325 -0.000002004 -0.000000853 0.000003201 -0.000001760 -0.000002919 -0.000000561 0.000011320 0.000009689 0.000002168 -0.000010821 0.000004284 0.000006114 0.000011976 -0.000005439 -0.000000444 -0.000002757 0.000003929 0.000012890 -0.000003062 -0.000000989 0.000001556 -0.000003540 -0.000004108 -0.000002504 -0.000004504 -0.000000862 0.000008217 0.000014084 -0.000002590 -0.000002041 -0.000002825 0.000008174 0.000013119 -0.000000668 -0.000000569 -0.000001254 0.000002629 0.000004875 -0.000000195 0.000002185 -0.000001228 -0.000001624 -0.000001066 0.000000423 -0.000002477 0.000000612 0.000001957 0.000007969 -0.000003242 0.000001424 -0.000003223 0.000001524 0.000003150 0.000000474 0.000003319 0.000001590 -0.000008184 -0.000007900 -0.000001356 -0.000002593 0.000003663 -0.000000264 -0.000004888 0.000000833 -0.000000360 0.000007161 -0.000011547 -0.000013235 -0.000001971 0.000001106 -0.000005321 0.000011208 0.000010024 0.000002994 -0.000000530 0.000000725 -0.000001759 -0.000003754 0.000000490 0.000195009 0.000059538 0.000022103 0.000030168 0.000120809 0.000267989 0.000000498 0.000104205 0.000342906 -0.000090301 0.000196833 0.000131464 -0.000205804 -0.000202068 -0.000180981 0.000032895 -0.000012357 0.000048367 0.000033474 0.000019749 0.000045867 0.000020466 0.000034496 0.000050704 -0.000025211 0.000055949 0.000078568 -0.000248820 -0.000227738 -0.000061785 0.000009901 0.000006629 -0.000008191 0.000004856 -0.000009505 0.000014030 -0.000006772 0.000006843 0.000008489 0.000000653 0.000013378 0.000001131 0.000005329 0.000008925 -0.000003301 0.000018828 0.000007128 -0.000005228 -0.000008236 0.000009472 -0.000024640 -0.000014848 -0.000009539 -0.000006678 -0.000015763 0.000012394 0.000029601 -0.000015024 -0.000013053 -0.000011226 -0.000006784 -0.000011829 -0.000012910 -0.000028369 0.000002463 0.000004899 -0.000015919 0.000034690 0.000042214 0.000012562 0.000000559 -0.000010118 0.000004428 -0.000000868 0.000008566 -0.000007510 0.000009863 0.000022331 0.000036769 -0.000005816 0.000004983 -0.000002559 -0.000005172 -0.000004666 -0.000000309 -0.000000138 -0.000001839 0.000001891 0.000000567 0.000002225 -0.000005378 -0.000001030 -0.000022640 -0.000030092 -0.000004353 0.000002858 0.000024600 -0.000022689 -0.000028839 -0.000005708 -0.000015073 -0.000023162 0.000003553 0.000009477 -0.000004952 -0.000004066 0.000002316 -0.000001592 0.000001169 -0.000003998 0.000015385 0.000008828 0.000004989 0.000000612 0.000008122 -0.000014480 -0.000019568 0.000011771 0.000011869 0.000002360 -0.000002519 -0.000002654 -0.000000849 -0.000001700 0.000000056 0.000005832 0.000005924 -0.000010450 -0.000010259 -0.000001450 0.000012978 0.000013419 -0.000006359 -0.000008633 0.000001784 -0.000000572 -0.000008671 0.000019709 0.000021818 0.000007084 -0.000004086 -0.000006214 0.000010764 0.000011173 0.000002213 0.000003749 0.000010399 -0.000014192 -0.000014707 -0.000005959 0.000004551 -0.000006183 0.000007473 0.000007810 0.000004831 0.000004875 0.000002030 0.000006419 0.000012494 -0.000001100 -0.000000455 0.000005608 -0.000008045 -0.000003719 -0.000007972 0.000002020 0.000002490 -0.000008432 -0.000006400 -0.000006487 -0.000001708 0.000001239 -0.000001244 -0.000002571 -0.000000570 -0.000007910 -0.000009556 0.000016699 0.000017439 0.000004806 0.000002660 0.000000321 0.000013800 0.000016164 0.000003080 0.000000727 -0.000000046 0.000001384 0.000000695 0.000000386 0.000006460 0.000013758 -0.000018732 -0.000019406 -0.000004846 -0.000002744 0.000021847 -0.000115693 -0.000101987 -0.000042774 -0.000027635 -0.000019427 0.000021431 -0.000044903 0.000033476 0.000004903 -0.000026602 0.000079991 0.000103560 0.000008673 0.000015972 0.000001088 0.000072188 0.000096972 0.000011566 0.000021080 0.000015134 -0.000032054 0.000003194 -0.000025680 -0.000011537 0.000019889 -0.000099361 -0.000164517 -0.000002161 -0.000000267 -0.000001501 0.000013199 0.000009376 0.000007263 0.000006044 0.000005178 -0.000006609 -0.000002972 -0.000003007 0.000010904 0.000021886 -0.000051204 -0.000050749 -0.000014637 0.205214474 -0.139686715 0.176245065 0.000402238 0.000195296 0.559010809 0.009258496 0.023512692 0.030171830 0.548891971 -0.007913040 -0.020204884 -0.003177197 -0.055819393 0.533724626 0.000454501 -0.000196298 -0.266977308 -0.080061477 0.022635204 0.000671034 -0.000256854 -0.081095907 -0.079667363 0.010466965 0.000605647 0.001283068 0.023957718 0.011037471 -0.052087604 -0.000407417 -0.002767318 -0.050604317 -0.002308100 -0.001630134 0.000174961 -0.003345206 0.000570783 -0.204612811 0.133656096 -0.002549485 -0.004395138 -0.004595145 0.134720899 -0.161458454 -0.000186145 -0.000300754 -0.127264011 0.054248235 0.026656432 0.001493371 0.002034482 0.053827426 -0.146716833 -0.031494852 -0.000595609 0.001182220 0.025338893 -0.027825964 -0.095592995 0.000066268 0.000058229 -0.018786063 -0.006227316 0.002025776 -0.000077141 -0.000049624 0.024413065 0.007832432 -0.003776236 0.000055201 0.000001565 0.011997961 0.003497084 -0.002411559 -0.000294852 0.000384671 -0.001219943 0.017846619 -0.012951171 0.000034393 -0.001299778 -0.000059439 -0.020088703 0.015543455 0.000471690 0.000106993 0.000164571 -0.010844315 0.006905725 -0.000141568 -0.000127887 0.007761824 0.003680101 0.017964416 0.000183900 -0.000425457 -0.008441169 -0.009746642 -0.024437335 -0.000025611 0.000341409 -0.001652618 -0.008412048 -0.013141491 0.000035476 -0.000001806 -0.001053656 -0.000459171 -0.001674968 -0.000004222 -0.000018601 -0.001091068 0.000752044 -0.000874120 0.000082827 -0.000036217 -0.003453601 -0.000937897 -0.004628913 0.000026158 -0.000000263 0.000787996 0.000907301 0.000824051 -0.000006868 0.000094802 -0.001304783 0.000305169 0.000497823 0.000015788 0.000016694 -0.001350325 0.000612248 0.001506500 0.000001824 0.000494445 -0.000779142 0.000581053 0.000758975 -0.000051497 0.000923419 -0.001797697 0.003010478 -0.000943219 -0.000201194 0.000574480 0.001167639 0.000903864 -0.000167962 0.000009837 -0.000027499 -0.000033480 -0.000062626 0.000055502 0.000004243 0.000002240 -0.000096974 0.000074049 0.000013676 -0.000012099 0.000051350 -0.000007176 0.000086364 0.000067181 -0.000002550 0.000007139 0.000002337 -0.000011992 0.000003010 -0.000005299 0.000005848 0.000034522 -0.000016799 0.000009528 -0.000001373 0.000007773 -0.000021195 0.000026362 -0.000007246 0.000003034 -0.000004288 -0.000014839 0.000015850 -0.000004998 0.000004270 -0.000015039 0.000023869 -0.000041213 0.000007803 0.000012150 -0.000010804 -0.000073190 0.000020365 0.000012276 -0.000004661 0.000009735 0.000032300 0.000037755 -0.000027491 -0.000005387 0.000025267 0.000010630 0.000082955 -0.000026544 -0.000008104 0.000026011 -0.000007574 0.000092796 -0.000073189 -0.000000567 -0.000002489 0.000005262 -0.000014003 0.000008531 0.000005459 -0.000026226 -0.000017480 -0.000053309 0.000015422 0.000001666 0.000006314 0.000019327 0.000030458 -0.000003653 0.000003330 -0.000005029 -0.000043332 -0.000012940 0.000001575 -0.000005584 0.000005267 0.000021268 -0.000024044 0.000020956 0.000006394 -0.000022969 -0.000016717 -0.000031165 0.000013647 -0.000001920 0.000008186 0.000010487 0.000020794 -0.000003673 -0.000002236 -0.000007687 0.000068068 0.000011932 -0.000019525 -0.000001636 0.000011088 -0.000031293 -0.000023955 0.000031614 0.000004198 -0.000010245 -0.000013211 -0.000021813 0.000011667 0.000004342 -0.000003139 -0.000012046 -0.000010288 0.000014910 0.000009241 -0.000019569 0.000008299 -0.000012898 0.000008822 -0.000004198 0.000010409 0.000049842 0.000016531 0.000002448 -0.000003145 0.000019484 -0.000036777 0.000011798 0.000001499 -0.000001596 0.000006406 -0.000013004 0.000009540 0.000000634 -0.000010923 0.000020291 0.000019276 0.000026575 -0.000016755 -0.000007060 0.000011990 -0.000001824 0.000020945 -0.000031307 -0.000013795 0.000024856 -0.000000679 0.000044880 -0.000052950 0.000007398 -0.000011479 -0.000062866 -0.000035289 0.000019570 0.000001843 -0.000002385 -0.000004428 -0.000010395 0.000007141 0.000001101 -0.000003126 -0.000015514 -0.000018994 0.000014076 0.000000533 0.000005569 0.000032132 0.000029059 -0.000016037 0.000004457 -0.000019248 0.000026563 -0.000011644 0.000013639 0.000008162 -0.000011871 0.000002969 -0.000021138 0.000018961 -0.000000002 -0.000002312 -0.000013066 -0.000003103 -0.000000854 0.000002346 -0.000007240 0.000012766 -0.000008591 0.000013770 0.000001175 -0.000002646 0.000009607 -0.000007754 0.000011716 0.000001701 -0.000002241 0.000004468 -0.000003243 0.000004920 0.000001814 0.000000719 -0.000005923 0.000000382 -0.000000814 0.000007193 -0.000011038 0.000006480 -0.000005790 0.000010332 0.000000413 0.000002043 -0.000005799 -0.000003009 0.000001658 0.000001644 -0.000002487 -0.000020303 -0.000008026 0.000002874 -0.000003607 0.000002333 0.000012545 0.000011677 -0.000009683 0.000001288 -0.000006406 -0.000004134 -0.000001141 -0.000001184 -0.000003780 0.000008426 0.000005492 0.000003469 -0.000000656 -0.000002206 0.000001567 0.000000659 0.000001220 -0.000003419 0.000032323 0.000070372 -0.000053151 0.001397456 0.001020993 0.000075073 -0.000728590 0.001358052 -0.002220923 0.000347897 0.000056676 -0.000645758 0.001029561 -0.001325543 -0.000952155 -0.000036584 0.000095542 0.000117259 -0.000025619 -0.000292930 0.000047614 -0.000274099 0.000463734 -0.000535200 0.000093366 0.000117721 -0.000217127 -0.000332102 -0.000022076 0.000412796 0.000009231 -0.000045598 0.000084667 -0.000051128 0.000104619 -0.000002818 0.000000291 -0.000032935 -0.000086385 -0.000009934 -0.000002899 -0.000011065 0.000040257 -0.000058178 0.000062547 0.000013554 0.000001084 -0.000006239 -0.000021292 0.000044612 -0.000011100 0.000019813 0.000010137 -0.000020851 -0.000027422 0.000002755 0.000016303 0.000218925 0.000223693 0.000090008 0.000011815 -0.000017412 -0.000094825 -0.000011413 -0.000105772 -0.000010763 0.000000379 -0.000179988 -0.000235051 -0.000025754 0.000004033 -0.000020579 -0.000084751 -0.000070785 -0.000118007 -0.000024176 0.000034878 -0.000000208 -0.000064365 0.000035437 0.000002916 -0.000006839 0.000012373 0.000016480 0.000031332 -0.000001704 0.000005419 0.000006104 0.000017545 -0.000005450 0.000011628 -0.000023097 0.000053531 0.000101767 0.000018909 0.000011261 -0.000002770 0.000158572 0.000228810 0.000021953 -0.000006663 -0.000003730 -0.000089843 -0.000107111 -0.000016740 -0.000002647 -0.000008790 -0.000095944 -0.000089653 -0.000046655 0.000003180 -0.000004160 0.000016538 0.000038745 0.000004531 -0.000002814 -0.000012946 -0.000057789 -0.000091206 -0.000028464 -0.000000671 0.000000646 -0.000016987 -0.000010723 -0.000010004 0.000008992 -0.000010528 0.000000074 0.000012622 0.000000530 0.000006505 0.000000248 0.000039212 0.000066215 0.000018352 -0.000006371 0.000009829 0.000011926 -0.000019353 0.000006935 -0.000005172 0.000004624 0.000006481 -0.000011722 -0.000001615 0.000002324 0.000007889 0.000046427 0.000067448 0.000028293 -0.000001444 0.000000566 -0.000001803 -0.000014349 -0.000030923 -0.000000336 -0.000010559 0.000057451 0.000000063 0.000005226 0.000003247 -0.000022730 -0.000009344 -0.000054522 0.000021194 0.000002670 -0.000020037 0.000016502 -0.000039155 -0.000011800 -0.000000120 0.000004146 -0.000008964 0.000000032 -0.000000558 -0.000008392 0.000023476 -0.000005730 0.000028649 0.000011191 -0.000008158 0.000019344 0.000044672 0.000027780 0.000019734 -0.000001895 0.000001652 0.000000706 -0.000007850 0.000001335 0.000006207 -0.000003123 -0.000007811 0.000025118 0.000000434 0.000086475 -0.000236574 -0.000139409 -0.000310002 0.000144063 -0.000076824 0.000280087 -0.000353640 0.000322742 -0.000563618 -0.000019158 -0.000035929 0.000223293 -0.000107071 0.000256902 -0.000039090 0.000072574 0.000310254 0.000108648 0.000262052 0.000070062 -0.000212719 0.000155952 -0.000189128 0.000270559 0.000004967 0.000119530 -0.000508066 0.000155502 -0.000669550 -0.000011313 0.000043220 0.000009681 0.000067477 -0.000058539 0.000005906 -0.000021755 0.000018779 -0.000031684 0.000040614 0.000024102 -0.000042196 -0.000062590 -0.000017679 0.000017426 0.291390620 0.086076472 0.082728900 -0.024710985 -0.005318023 0.055691114 0.001672945 -0.022484630 0.019592954 0.050972485 0.000752060 -0.006516537 0.004817621 -0.002973173 0.221640315 0.000078327 -0.000385803 -0.000168311 0.004350109 -0.140900273 -0.019495188 0.024622658 0.011087143 -0.000747586 0.001046141 -0.007047362 0.007671946 0.004526660 0.016407252 -0.020829004 0.002683009 -0.003982562 -0.002112705 -0.012634209 0.015466630 -0.001467304 0.003189229 0.001390741 0.000278731 -0.000137108 0.003811162 -0.003178817 -0.002302632 -0.000014663 0.000942393 0.001164162 -0.002152462 -0.000416110 -0.000779346 0.000047708 0.000598758 -0.000415439 -0.000679622 -0.001903500 0.003399747 0.000266230 0.001106447 -0.000276468 0.003596272 -0.002884687 -0.000624205 0.000506572 0.000449081 0.001263326 -0.002310002 0.000669359 0.000631743 0.001361964 0.000662523 -0.000388573 -0.000993306 0.001301411 0.000891128 -0.001350557 0.000731998 -0.001413721 0.001156841 0.000813138 -0.000012820 0.000628570 0.000372256 0.000029455 -0.000216882 -0.000150513 -0.000000537 0.000138890 0.000018455 -0.000027629 -0.000128606 0.000197829 -0.000081849 0.000310213 0.000055382 -0.000047436 -0.000012504 0.000745617 -0.000610022 -0.000524894 -0.000063875 -0.000021799 0.000506609 -0.000114239 -0.000464943 -0.000030659 -0.000087681 0.000782892 0.000008468 -0.000235732 0.000126034 -0.000059581 -0.000389620 -0.000383774 0.000519057 0.001992787 -0.001030202 -0.000585608 -0.000441769 0.000958921 0.002876117 -0.002893635 -0.000273996 -0.000338790 0.000160992 0.000772826 -0.001658125 -0.000012309 -0.000003869 -0.000004067 0.000009454 0.000056910 0.000053505 0.000030590 -0.000038550 -0.000064795 0.000007083 -0.000033773 -0.000039591 0.000032514 0.000160135 -0.000136468 0.000010464 0.000005475 -0.000007279 0.000000661 -0.000013808 -0.000002536 -0.000013937 0.000000612 0.000023608 -0.000001960 -0.000014208 -0.000009124 0.000015585 0.000038656 -0.000028905 0.000009432 0.000006117 -0.000008065 -0.000029043 0.000015391 -0.000006247 -0.000001113 0.000002124 0.000001448 0.000015996 0.000020502 0.000006190 -0.000009714 -0.000015344 0.000015475 -0.000012193 -0.000008188 0.000010926 -0.000015147 0.000006786 -0.000005875 -0.000012633 0.000002236 -0.000006340 -0.000029246 0.000006917 0.000007185 -0.000004576 -0.000059140 -0.000004516 -0.000025157 -0.000027092 0.000025325 0.000078064 -0.000004218 0.000006186 -0.000000807 -0.000004007 0.000003965 0.000056997 -0.000004498 -0.000003125 0.000007186 -0.000003551 -0.000016706 0.000023971 0.000016537 -0.000018337 -0.000026469 0.000010146 -0.000005021 -0.000003037 0.000002744 0.000026358 -0.000014752 -0.000003198 -0.000003842 0.000004244 0.000005154 0.000037523 -0.000011939 -0.000014836 0.000011291 0.000023597 -0.000010212 -0.000055990 -0.000032067 0.000052169 0.000051351 0.000014680 0.000039782 0.000029646 -0.000037948 -0.000032212 -0.000027564 0.000009176 0.000009051 -0.000005455 -0.000010947 0.000012389 0.000008177 0.000003886 -0.000010457 -0.000003513 -0.000005335 -0.000018847 -0.000023937 0.000022250 0.000033953 0.000027225 -0.000019222 -0.000008288 0.000007031 0.000014009 -0.000024502 0.000042246 0.000042268 -0.000041412 -0.000058246 -0.000038973 0.000014657 0.000013987 -0.000007001 -0.000010828 -0.000004593 0.000007624 0.000017831 -0.000016148 -0.000038137 -0.000026940 0.000017410 0.000028177 -0.000019818 -0.000061664 -0.000004388 0.000026740 0.000039522 -0.000018459 -0.000085599 -0.000009894 0.000036485 0.000024458 -0.000017812 -0.000016162 0.000012479 0.000001236 0.000002523 0.000001822 0.000007632 -0.000002397 0.000005958 0.000005140 -0.000002686 0.000010826 -0.000001681 -0.000017373 -0.000019832 0.000009895 0.000013356 -0.000008297 -0.000038387 -0.000045326 0.000032439 0.000061560 0.000029829 -0.000005014 -0.000011015 0.000008532 0.000035389 -0.000001981 0.000001390 -0.000001795 0.000002401 0.000006024 0.000008851 -0.000017092 -0.000022274 0.000013714 0.000038014 0.000004395 -0.000009414 -0.000013446 0.000008050 0.000027003 -0.000002078 -0.000004560 -0.000004012 0.000002981 0.000007714 -0.000000647 0.000005713 0.000007160 -0.000005133 -0.000011383 -0.000002850 -0.000012628 -0.000016182 0.000010298 0.000021975 0.000009238 0.000005737 0.000004878 -0.000003070 -0.000002540 -0.000005003 0.000014538 0.000011614 -0.000009004 -0.000015046 0.000003389 -0.000007457 -0.000006194 0.000004691 0.000000422 0.000003502 0.000001731 0.000001257 0.000000143 -0.000008373 0.000011862 -0.000000027 0.000000729 -0.000003767 0.000001859 -0.000012988 0.000000762 0.000002380 0.000000338 -0.000003148 0.000000531 0.000305707 -0.000210265 -0.000158481 -0.001211135 -0.000799440 0.000464528 0.000583963 -0.000732925 -0.002186304 0.001809189 0.000557591 0.000776489 -0.000996394 -0.000554957 0.002599586 0.000099287 0.000077080 -0.000072119 -0.000177184 -0.000086886 0.000008538 0.000170854 -0.000108617 -0.000785420 0.000558505 0.000208402 0.000219678 -0.000190210 -0.000632713 0.000408040 0.000021814 0.000033261 -0.000041079 -0.000165557 0.000093041 0.000036713 -0.000000945 -0.000038820 -0.000032016 0.000044890 0.000034577 0.000022708 -0.000038521 -0.000092110 0.000065825 0.000029033 0.000014156 -0.000007322 -0.000002050 -0.000031397 -0.000036095 -0.000016235 0.000006595 0.000059693 -0.000038814 0.000116580 -0.000095334 -0.000058810 0.000040963 -0.000054080 -0.000008234 0.000014014 0.000010611 -0.000005942 0.000011318 -0.000117703 0.000106025 0.000074940 -0.000019927 0.000041537 -0.000064065 0.000040701 0.000026274 -0.000046601 0.000064619 -0.000017663 0.000024600 0.000029894 0.000036428 -0.000029355 0.000010669 -0.000007885 -0.000016535 -0.000016958 0.000010724 0.000007965 -0.000006615 -0.000005266 0.000007263 -0.000013763 0.000043929 -0.000033425 -0.000050645 -0.000022140 0.000022969 0.000121263 -0.000089830 -0.000061786 0.000006349 -0.000027843 -0.000061860 0.000036421 0.000026134 -0.000014474 0.000028397 -0.000040525 0.000043246 0.000025467 -0.000031883 0.000044569 0.000018236 -0.000005896 -0.000004471 -0.000015367 0.000005360 -0.000064347 0.000032928 0.000026677 -0.000012297 0.000044663 -0.000011455 0.000005475 0.000004908 0.000000799 -0.000002337 0.000016039 -0.000002119 -0.000009025 -0.000016333 0.000011541 0.000045533 -0.000020290 -0.000019192 -0.000003164 -0.000016781 -0.000012062 0.000005422 0.000010803 0.000015167 -0.000015287 -0.000010740 0.000002681 0.000006997 0.000007828 -0.000003566 0.000041393 -0.000029715 -0.000024978 0.000015799 -0.000028868 0.000007070 0.000011054 -0.000007113 -0.000026768 0.000005879 0.000018411 0.000003617 -0.000014602 -0.000039508 0.000041322 -0.000001642 0.000015607 -0.000001237 -0.000040599 0.000068232 0.000008915 0.000015536 -0.000022400 -0.000070264 0.000074745 0.000000978 -0.000012308 0.000007086 0.000031275 -0.000018342 -0.000030014 -0.000015115 0.000031077 0.000071536 -0.000066150 0.000014247 -0.000012541 -0.000003682 0.000025872 -0.000038863 0.000002877 -0.000001503 -0.000001785 0.000002987 0.000002902 0.000030083 -0.000005211 -0.000015542 -0.000012286 0.000002207 -0.000064158 0.000112138 -0.000014041 -0.000397214 0.000470293 -0.000025857 -0.000068727 0.000065845 0.000514424 -0.000641606 -0.000023295 0.000009071 0.000007437 -0.000050873 0.000118906 0.000085769 -0.000065987 -0.000037777 0.000096681 -0.000121271 0.000022625 0.000043966 -0.000044645 -0.000352879 0.000442533 0.000019856 -0.000008957 0.000016399 0.000221923 -0.000322129 0.000008949 -0.000019171 0.000005599 0.000073079 -0.000086899 0.000017451 0.000008942 -0.000013899 -0.000051921 0.000048111 0.000044213 0.000021755 -0.000032987 -0.000092988 0.000073740 0.177609766 0.000067676 0.567342430 -0.009711228 0.032360773 0.542644631 0.008183509 -0.003432287 -0.044826612 0.524791202 -0.000123964 -0.277399018 -0.085212855 0.023056568 0.302000942 0.000491043 -0.088078160 -0.080567233 0.009450217 0.092548979 0.000239021 0.025329089 0.009461506 -0.049342290 -0.027892455 0.001986780 -0.051017769 0.002905582 -0.002559711 0.003553882 -0.002614505 0.003325785 -0.196237952 0.122487207 0.001243207 -0.000250427 -0.002982019 0.122336429 -0.147781008 -0.000142163 -0.000674792 -0.097292062 -0.016568184 -0.039064360 -0.009864587 0.000425853 -0.013845258 -0.098277647 -0.037908467 -0.003249565 0.000774379 -0.035537267 -0.035900412 -0.185196981 -0.000920900 0.000043893 0.007331860 -0.011742495 -0.003344048 0.000325862 0.000140392 0.003207772 -0.005457288 -0.000603279 0.000061435 -0.000012448 0.016062405 -0.022322684 -0.008112407 -0.000189526 0.000004262 -0.009667713 -0.002645309 0.001091971 0.000276280 0.000065712 -0.009974560 -0.003518988 0.000751662 -0.000913713 0.000031797 -0.029757872 -0.009523493 0.001037956 -0.001807748 -0.000800958 0.002027258 0.010975284 -0.008050216 -0.001140607 -0.002939142 0.007435984 0.014609633 -0.004433843 -0.003188620 -0.002103580 -0.000497477 0.020988396 -0.028787600 0.000573353 0.000055437 0.000716509 0.000394987 -0.000199485 0.000065515 0.000077687 0.000099423 0.000773714 -0.000666350 -0.000025754 -0.000163371 0.000147322 0.001270660 -0.000766286 -0.000073421 -0.000019004 -0.000047620 -0.000057890 -0.000004668 0.000015057 -0.000028127 0.000042533 -0.000021641 -0.000036150 0.000032059 -0.000018204 -0.000106340 -0.000040107 0.000018846 -0.000025446 0.000021831 0.000013146 0.000078529 -0.000017497 0.000007333 0.000009539 -0.000061668 -0.000264093 0.000142133 0.000011857 0.000024647 0.000135838 0.000431274 -0.000211063 -0.000008468 -0.000015154 -0.000056664 -0.000065606 0.000089523 0.000001293 -0.000071926 -0.000058921 0.000095426 -0.000059293 -0.000017512 -0.000004589 0.000090423 -0.000016417 0.000102788 0.000004657 -0.000018993 0.000010249 0.000017076 -0.000088981 -0.000028037 0.000063650 0.000024492 -0.000010878 0.000047449 0.000015746 -0.000044942 -0.000018549 -0.000017493 0.000016729 0.000000768 0.000032418 0.000057957 0.000045257 0.000004209 0.000011003 -0.000024134 -0.000048157 -0.000030252 -0.000027637 0.000004070 0.000042378 0.000018993 0.000007186 0.000024175 -0.000006510 -0.000021804 -0.000016680 -0.000021917 0.000006330 -0.000008650 -0.000021713 -0.000062869 -0.000077476 0.000032381 -0.000037508 0.000014114 0.000050232 0.000027728 -0.000022558 0.000038198 0.000019785 0.000009206 -0.000001714 0.000014093 0.000007412 -0.000000466 0.000006681 0.000005616 -0.000011447 0.000006777 0.000000202 0.000011541 -0.000016863 -0.000001018 -0.000010687 -0.000020724 -0.000000695 -0.000017087 -0.000033567 0.000000702 0.000008582 -0.000020545 0.000030340 0.000018868 0.000019612 0.000022849 0.000014088 0.000008456 0.000014296 0.000000949 0.000004595 -0.000006329 0.000015794 0.000002242 0.000008354 0.000033213 0.000003384 0.000029456 0.000031234 0.000009430 0.000042211 -0.000021001 0.000027980 0.000066631 0.000007663 0.000030046 0.000029880 0.000029257 0.000008863 0.000015621 -0.000003094 -0.000001769 -0.000005015 -0.000002774 -0.000000435 0.000001727 0.000004894 0.000001602 -0.000007109 0.000001579 -0.000011138 -0.000010911 -0.000012062 -0.000005631 -0.000007108 -0.000021870 0.000000976 -0.000031530 -0.000027058 -0.000016932 0.000001534 0.000009055 -0.000014469 -0.000011997 -0.000002598 0.000006795 0.000002862 0.000003076 0.000008200 -0.000002430 -0.000019407 -0.000000114 -0.000016448 -0.000024773 -0.000006589 -0.000016021 0.000000461 -0.000013125 -0.000021060 -0.000001921 -0.000005629 -0.000001047 -0.000006002 -0.000005113 -0.000001832 0.000002546 0.000001303 0.000003992 0.000005577 0.000002171 -0.000008084 0.000003456 -0.000011567 -0.000008678 -0.000006670 -0.000003182 0.000001839 0.000001442 -0.000002833 0.000003339 0.000014047 0.000010567 0.000013062 0.000007282 0.000006841 0.000002002 -0.000005321 -0.000001159 0.000003887 -0.000003889 0.000016898 0.000004474 0.000006978 0.000011688 -0.000000612 -0.000012963 -0.000001968 -0.000002626 -0.000012072 0.000002857 0.000003596 -0.000003011 0.000000971 0.000004593 -0.000000137 0.001220755 -0.002508863 0.000867812 -0.002044918 0.001901031 0.001688463 -0.001276036 -0.001026474 -0.003993577 0.001190588 -0.001966725 -0.000910783 -0.002411829 0.002094899 0.002178666 -0.000109280 0.000349065 -0.001762063 0.000507532 -0.000004471 0.000661398 -0.001437500 -0.003932106 0.003711428 0.000402797 0.000836755 0.000544408 0.003564352 -0.000961930 0.000285095 0.000152432 -0.000072592 0.000291783 0.000010122 0.000080128 -0.000023110 0.000508037 0.000026641 -0.000138600 0.000130649 0.000053399 0.000184684 0.000062196 0.000290054 0.000073938 -0.000035413 -0.000018433 0.000015163 0.000033425 -0.000790345 -0.000013452 0.000482127 -0.000068696 0.000170283 0.000080816 -0.000032232 -0.000355445 -0.000581353 -0.000301657 0.000893658 0.000014783 -0.000111423 0.000125981 0.000221385 0.000008417 0.000013905 0.000271810 0.000328479 -0.000105611 -0.000182997 0.000044084 0.000358465 -0.000011203 0.000065879 0.000033633 -0.000029995 0.000020579 0.000082611 -0.000105229 -0.000071327 0.000009173 -0.000071972 -0.000027517 -0.000072997 0.000046487 -0.000012222 0.000002667 0.000029521 -0.000000467 -0.000034045 0.000016068 -0.000465229 -0.000110799 0.000046180 -0.000707106 -0.000003659 -0.000422791 -0.000325785 -0.000105270 0.000227697 0.000028194 0.000458487 0.000149657 0.000008235 0.000834263 0.000031969 0.000108221 0.000179023 0.000098247 -0.000139778 -0.000004911 -0.000218241 -0.000048815 -0.000087622 0.000045950 0.000029532 0.000127670 0.000165773 0.000050316 0.000028132 0.000004877 0.000050664 0.000019725 0.000019055 -0.000021042 0.000012305 -0.000030264 -0.000035973 0.000022406 0.000015399 -0.000012884 -0.000176648 -0.000107483 -0.000024997 0.000023552 -0.000025893 -0.000016440 0.000033569 -0.000025837 -0.000010099 -0.000007877 0.000017900 0.000014994 -0.000009174 -0.000002357 -0.000016458 -0.000086774 -0.000102496 -0.000004769 0.000034182 0.000010426 0.000015558 -0.000065080 -0.000010131 0.000010595 0.000022446 -0.000113194 0.000047456 -0.000070019 0.000023270 0.000051241 0.000036328 0.000109678 -0.000017075 -0.000015627 0.000050744 0.000019646 0.000021242 0.000047052 0.000025983 -0.000020918 0.000023962 0.000005907 -0.000003519 -0.000011953 -0.000053690 0.000046813 0.000048816 -0.000064348 -0.000049218 -0.000035807 -0.000105869 -0.000066015 -0.000050664 0.000008469 -0.000008863 -0.000004243 -0.000015006 0.000008158 0.000005147 0.000005963 -0.000033560 -0.000046212 0.000030073 0.000015435 0.000601694 0.000514704 0.001012183 0.000132230 -0.000024306 -0.000608180 0.000624098 -0.001606164 0.000428002 -0.000189861 0.000060184 -0.000595467 0.000299676 -0.000163065 0.000100970 -0.000175384 -0.000721534 0.000259542 -0.000231397 0.000152283 0.000426881 -0.000351742 0.000792759 -0.000176853 0.000129379 -0.000251568 0.001146013 -0.001376493 0.000558718 -0.000165583 -0.000110992 -0.000032857 -0.000171784 -0.000024007 -0.000017595 0.000058313 -0.000032931 0.000044399 -0.000014425 0.000029503 0.000117075 0.000052927 0.000028636 0.000127722 0.000032632 0.086324600 -0.004855565 0.055469954 -0.022135396 0.018699101 0.049396866 -0.007884911 0.005955539 -0.007200829 0.214956528 0.001201256 -0.001834863 0.003577269 -0.130720214 0.163016355 -0.010590679 -0.028903670 -0.000418726 -0.000188998 0.001694633 -0.003419082 -0.010569607 0.009064077 0.009226101 0.023388933 -0.000730657 0.002963377 -0.008676596 -0.009982443 -0.019714426 -0.000065366 0.000380276 0.000439829 0.000161327 0.000564467 -0.000002305 -0.000088950 -0.000293911 0.000885292 0.000088883 0.000280193 0.001002382 0.000804043 0.000317430 0.000752278 -0.000260732 -0.002282246 0.000121359 0.000335279 -0.000546348 -0.000384880 -0.001857274 0.000417789 0.000162844 -0.000057259 -0.001984938 -0.005512234 0.000386685 0.000635393 0.000789575 0.000348044 -0.001503685 -0.001236110 -0.001886094 -0.003041344 -0.000628617 -0.001060236 -0.003512592 -0.001951204 -0.004316742 0.001369633 0.000348243 -0.001395313 -0.002363755 -0.002503265 -0.000007744 0.000136955 -0.000059432 0.000028463 -0.000171428 -0.000049490 0.000061589 -0.000088952 -0.000076553 -0.000388198 0.000037411 -0.000011732 -0.000141729 -0.000173318 -0.000281571 0.000018940 0.000011225 0.000008831 -0.000004154 0.000037227 0.000048399 0.000044544 0.000003576 -0.000003065 0.000047652 -0.000001794 -0.000055300 -0.000000231 -0.000010866 0.000007031 -0.000013275 0.000008856 0.000001732 0.000001076 -0.000053239 0.000008094 -0.000004862 0.000033049 0.000039732 0.000105218 -0.000038362 0.000032728 -0.000047758 -0.000034404 -0.000217401 0.000002992 0.000002273 0.000014037 -0.000004453 0.000028390 0.000015223 -0.000022118 -0.000000818 -0.000036572 -0.000021353 -0.000005861 -0.000003534 0.000018631 -0.000014004 -0.000028369 0.000019285 -0.000025477 -0.000022229 -0.000002238 0.000023482 -0.000022489 0.000037582 0.000009356 0.000026514 -0.000035854 0.000002350 -0.000004286 -0.000000775 -0.000002150 0.000023149 -0.000014100 0.000018002 -0.000005591 0.000003377 -0.000042548 0.000018970 0.000000367 0.000000567 -0.000003918 0.000056742 -0.000018081 0.000008148 -0.000003433 0.000019200 -0.000035121 0.000009587 -0.000010045 0.000000201 -0.000005537 0.000025157 -0.000001948 -0.000053418 0.000006490 0.000007382 0.000034813 0.000007284 0.000043259 0.000000206 -0.000007120 0.000014936 -0.000009103 0.000010268 0.000001846 0.000010495 -0.000014196 -0.000000156 0.000008472 -0.000001596 0.000005047 -0.000002523 -0.000000737 0.000001480 -0.000006627 0.000019753 -0.000014769 0.000015226 0.000002819 0.000002762 -0.000006340 0.000043751 -0.000008625 0.000001356 0.000005884 -0.000017414 -0.000005753 -0.000008706 -0.000000709 0.000003437 -0.000006694 -0.000006178 0.000003015 0.000002628 0.000007995 -0.000021722 0.000010484 -0.000013520 0.000007043 0.000009954 -0.000016152 -0.000025238 -0.000019353 -0.000010584 0.000015715 -0.000030551 -0.000026982 -0.000013036 0.000014929 -0.000004716 0.000009527 -0.000037437 0.000000361 -0.000002562 -0.000001169 0.000002825 0.000005792 -0.000000182 -0.000000090 -0.000002386 0.000003190 0.000004120 0.000007207 -0.000004604 0.000000487 -0.000003086 0.000008604 0.000010793 -0.000001434 -0.000008134 0.000019891 0.000010026 0.000002888 0.000002454 -0.000004514 0.000014224 0.000002591 -0.000002924 -0.000002692 -0.000001336 0.000001354 -0.000008663 0.000010133 -0.000000095 -0.000005170 0.000008776 0.000016312 0.000009621 0.000000813 -0.000003578 0.000004278 0.000017965 0.000001660 -0.000000918 -0.000000972 0.000003187 0.000004565 -0.000003307 0.000000566 0.000000939 -0.000000316 -0.000005248 0.000001428 0.000000510 -0.000003934 0.000012896 -0.000003423 0.000001521 0.000000762 -0.000000630 -0.000001445 0.000003553 -0.000006043 0.000006437 -0.000000250 0.000001451 -0.000016456 0.000000429 -0.000002395 0.000001817 -0.000003551 -0.000000045 -0.000007992 0.000003353 0.000000920 0.000004183 -0.000020032 0.000007831 -0.000000330 0.000000129 -0.000006809 0.000018991 -0.000001194 -0.000001938 0.000001106 -0.000002498 -0.000000062 0.000398163 0.001367971 0.001140021 0.000665148 -0.000065752 0.000104460 0.000911443 0.000520057 0.001013380 -0.000224578 0.000488179 -0.000025601 0.001706485 0.001275501 0.000421434 0.000092178 0.000097978 0.000126477 0.000077497 0.000762222 -0.000433023 0.000099133 0.000658654 0.000620557 0.001122305 -0.000627287 0.000318334 -0.000322943 0.000027898 -0.001804874 -0.000030968 0.000090033 0.000016260 -0.000000528 -0.000114221 0.000056690 0.000198264 0.000000032 -0.000005272 -0.000002019 -0.000049083 0.000182404 0.000018649 0.000020703 0.000048276 0.000222702 0.000325122 -0.000073686 -0.000013921 0.000099263 0.000311955 -0.000409385 -0.000250155 -0.000085854 0.000125007 0.000308339 -0.000468296 -0.000041116 0.000016108 0.000053676 -0.000008470 0.000140821 0.000067524 0.000009715 -0.000081071 -0.000429046 -0.000223902 -0.000022162 -0.000068510 0.000061610 -0.000365596 -0.000120992 0.000016606 0.000079301 -0.000123747 -0.000008682 -0.000224600 -0.000079410 -0.000089825 0.000113382 -0.000019652 0.000112120 0.000049557 0.000020218 -0.000024436 0.000001223 0.000103817 0.000024376 0.000005293 0.000008846 -0.000204738 0.001355002 0.000139675 0.000078264 -0.000128971 0.000210090 0.000351386 0.000153613 0.000085908 -0.000099610 0.000108014 -0.000831758 -0.000078728 -0.000037318 0.000007519 -0.000169391 -0.000032681 0.000009993 -0.000016102 -0.000057214 -0.000097953 0.000062075 0.000122563 0.000050408 -0.000055828 -0.000225744 -0.000175921 -0.000011841 0.000000300 -0.000042307 -0.000015181 -0.000021737 -0.000009749 -0.000005446 0.000006838 0.000019585 0.000029073 0.000007025 0.000015600 -0.000028883 0.000063117 0.000094980 0.000045356 0.000024284 -0.000008179 -0.000026916 -0.000016921 0.000003835 -0.000009860 0.000035444 -0.000011025 -0.000029362 -0.000007513 -0.000006237 0.000010972 0.000155951 0.000066599 -0.000017325 -0.000006403 0.000043702 -0.000026362 0.000030653 0.000011708 0.000009281 0.000026684 0.000012853 0.000053738 -0.000006373 0.000002870 -0.000026204 -0.000050254 -0.000000227 -0.000023287 0.000004052 -0.000065312 -0.000040858 0.000031418 0.000002720 0.000016431 -0.000048805 0.000035618 0.000003497 -0.000000682 -0.000005158 -0.000002774 0.000028979 -0.000071415 -0.000030754 -0.000032169 0.000058937 0.000075905 0.000017100 0.000000693 -0.000016607 0.000079458 0.000004548 0.000017856 0.000008069 0.000000088 0.000010596 0.000044647 0.000057643 0.000007902 0.000006501 -0.000010518 -0.000635812 -0.000080776 -0.000008544 0.000158778 -0.000937208 0.000576422 -0.000229577 -0.000049344 -0.000162603 0.001102654 -0.000060239 0.000022139 0.000036470 0.000008119 -0.000024349 0.000339712 0.000199690 -0.000001845 -0.000088804 0.000280793 -0.000388197 0.000195035 0.000035125 0.000154307 -0.000855285 0.000274203 -0.000100402 -0.000045134 -0.000015427 0.000468091 0.000115529 0.000009042 -0.000008022 -0.000030783 0.000149936 -0.000039570 0.000034314 0.000020822 0.000016186 -0.000072898 -0.000036190 0.000052354 0.000003922 0.000043024 -0.000120677 0.562283472 0.005916521 0.518708643 -0.005516903 0.044065335 0.502157451 -0.112387917 0.104293199 0.035250890 0.120041112 0.108042114 -0.214552613 -0.060882072 -0.113230429 0.232072849 0.030810427 -0.053671525 -0.066813503 -0.035286292 0.059328678 -0.281999449 -0.068416610 0.014860966 -0.014423685 -0.005755622 -0.068556423 -0.060388737 0.003412499 0.025211820 0.008694703 0.015621350 0.003682324 -0.049173375 0.007454865 0.002762069 -0.086961775 -0.001111488 0.000489017 0.003587705 0.011638970 -0.002608966 -0.109088788 0.034558542 -0.002826297 -0.021955189 0.000099749 0.035576107 -0.154790025 -0.004249094 -0.002172405 0.002700895 -0.001829258 -0.000585166 -0.000402469 -0.000259020 -0.001846958 -0.000405897 -0.002710464 -0.000205120 0.000109761 -0.002781662 -0.002985007 -0.003751995 0.000391822 -0.000474421 -0.000322231 0.000299536 0.000026406 0.000066466 0.000010855 -0.000135932 0.000058213 0.000112813 -0.000022871 -0.000050471 -0.000512889 0.000042884 0.000173657 -0.000005516 0.000163563 -0.000025231 -0.000120426 -0.000145542 0.000021309 -0.000011383 0.000322383 0.000480621 0.000767368 0.000007212 0.000028874 -0.000766591 -0.000646388 -0.001095851 -0.000028313 0.000026885 0.000227970 0.000154434 0.000324934 -0.000026428 0.000025323 -0.000586336 -0.000209836 -0.000324441 0.000035639 0.000030973 0.000555678 -0.000176758 0.000311459 -0.000168359 0.000097535 -0.000217978 -0.000242858 -0.000043778 -0.000020470 -0.000001680 0.000288711 0.000063090 0.000000293 0.000006171 -0.000024889 0.000182569 0.000021981 0.000069262 0.000007450 -0.000006767 0.000080260 -0.000076077 -0.000089168 -0.000028460 0.000030305 -0.000114634 0.000064493 0.000039971 0.000075022 -0.000055974 0.000134663 0.000014827 0.000016936 -0.000019185 0.000014219 0.000039896 -0.000048276 0.000080697 0.000019587 -0.000040471 0.000226303 0.000077621 0.000120322 -0.000004183 -0.000080830 -0.000041173 -0.000005248 -0.000056499 0.000031045 0.000011905 0.000048901 0.000053631 0.000007524 -0.000002836 -0.000000048 -0.000026963 0.000023753 -0.000038370 0.000011239 0.000005970 0.000005375 0.000010182 0.000041417 -0.000022422 -0.000000443 0.000012543 0.000052608 -0.000051427 0.000043375 -0.000050630 -0.000026837 0.000012306 -0.000101731 0.000001066 0.000035476 -0.000032461 -0.000024752 0.000007278 0.000017512 0.000021733 -0.000035568 0.000003579 -0.000056667 0.000005504 0.000000143 -0.000014643 0.000010655 -0.000044501 -0.000011796 0.000014626 0.000037568 -0.000031736 0.000030884 -0.000019889 0.000022216 -0.000041345 0.000013347 -0.000057572 -0.000012665 0.000019663 0.000010997 -0.000000216 0.000015602 0.000003464 -0.000005346 -0.000002376 -0.000001488 0.000002894 0.000005639 -0.000001856 -0.000009856 -0.000016052 0.000014441 -0.000000071 -0.000001292 0.000019703 0.000009338 0.000028211 -0.000002677 -0.000014414 0.000005486 0.000016172 0.000000802 0.000002929 -0.000007046 -0.000000770 -0.000017588 0.000021403 -0.000006730 0.000009988 -0.000009358 0.000008691 0.000004772 0.000007704 -0.000012043 -0.000010148 0.000005612 0.000000596 0.000008535 -0.000012091 0.000004160 0.000004473 0.000006624 0.000002809 -0.000003524 0.000000027 0.000001820 -0.000006286 -0.000000611 0.000003109 0.000007395 0.000008285 0.000002881 -0.000002170 -0.000002225 -0.000006003 -0.000002224 -0.000004088 0.000001606 -0.000001773 -0.000008330 0.000006992 -0.000027854 -0.000007458 0.000009202 0.000006515 -0.000006754 0.000006600 -0.000002780 0.000000090 0.000013469 0.000004426 -0.000011039 -0.000010415 0.000009297 -0.000014513 -0.000001776 -0.000000043 0.000009151 -0.000006877 0.000005415 -0.000002853 0.000008276 -0.000000319 0.000000430 0.008379094 -0.022992973 0.003676051 -0.002274807 -0.001367359 -0.027381995 -0.040937148 0.011579422 -0.001369526 0.000648214 0.011358833 0.025107331 0.013630565 0.001382009 0.002778986 0.010517003 -0.005563312 -0.001139469 0.000078581 -0.000831575 0.005040274 0.013018326 0.022465096 0.001727393 0.000143349 -0.006094421 0.003405127 -0.025995406 0.000256404 -0.000292087 -0.000457526 0.000701279 0.000243103 -0.000146095 0.000200461 0.000148593 -0.000326390 0.001207118 -0.000045655 -0.000148891 0.000500994 -0.000580285 -0.001042462 -0.000343701 0.000049559 0.000000554 -0.000291385 0.000048378 -0.000664813 0.000081831 0.000370481 0.000110985 0.000183915 -0.000318042 -0.000367234 -0.000170415 -0.000212355 -0.000243322 0.000312099 0.000107711 -0.000738909 0.000688886 0.000401843 -0.000960095 -0.000540487 -0.000067947 0.000169342 0.000095452 -0.000218436 0.000595902 0.000419790 0.000237311 0.000110587 -0.000466041 -0.000080060 0.000025300 -0.000190621 -0.000076579 0.000173480 0.000247475 -0.000139366 -0.000094619 -0.000072835 0.000097043 0.000082551 0.000042934 -0.000040172 0.000034078 -0.000018222 -0.000096697 0.000138157 -0.000045980 -0.000151606 0.000095905 -0.000118984 -0.000093165 -0.000206962 -0.000162839 0.000063116 -0.000093106 -0.000066112 0.000099376 0.000024839 -0.000017737 0.000013260 -0.000039578 0.000017771 0.000075789 0.000021043 0.000085712 -0.000034444 -0.000007474 -0.000032870 0.000149478 0.000152512 -0.000071683 0.000223799 -0.000108766 0.000128332 0.000158384 0.000041721 -0.000084880 0.000029633 -0.000064404 0.000043816 -0.000020755 0.000064915 -0.000031557 -0.000013310 -0.000047645 0.000017476 -0.000058854 -0.000037446 -0.000011959 -0.000073840 0.000031868 -0.000045336 -0.000002528 0.000071357 0.000013917 0.000010899 -0.000028638 -0.000004932 0.000017117 0.000004633 0.000005258 -0.000020414 0.000056276 -0.000091834 -0.000127654 0.000277562 -0.000570153 0.000061480 -0.000025019 -0.000066531 0.000743120 -0.000426406 -0.000274510 -0.000090767 -0.000397312 -0.000025306 0.000026037 0.000118713 -0.000015736 0.000140106 0.000348991 -0.000008898 -0.000098192 -0.000017972 0.000075643 -0.000421729 0.000215135 0.000155563 -0.000008370 -0.000029550 -0.000210507 -0.000181554 0.000047942 -0.000078399 0.000075282 0.000135677 -0.000247165 -0.000059084 -0.000022916 -0.000018689 -0.000128365 0.000025853 0.000094599 -0.000016764 0.000009805 -0.000077626 0.000068992 0.000057195 -0.000032482 -0.000074023 -0.000943308 0.004813118 -0.000620286 0.000993676 -0.000629836 0.000535876 -0.006104320 0.001111434 -0.002497988 0.002273558 -0.000216698 0.002575593 -0.000593703 0.001995290 0.000034077 -0.000493276 0.001758887 0.001183062 -0.001550790 0.000348930 -0.000052959 0.002303916 -0.000706569 0.001309329 -0.003060200 0.001914822 -0.005766188 -0.000498229 -0.000933238 -0.000523127 0.000290585 -0.000795986 -0.000288028 -0.000112154 -0.000204810 -0.000394729 0.000932911 0.000027518 0.000422053 -0.000271622 0.000009011 0.000230293 0.000468800 -0.000711898 0.000483200 0.074844280 0.000516603 0.303709790 -0.001127119 0.074974192 0.065828104 -0.000753191 -0.011754106 -0.003246449 0.054763803 -0.013148179 -0.002578978 -0.023767534 0.023042407 0.393589902 0.018501785 0.001129530 -0.007061340 0.003095802 0.242689194 0.014018294 -0.004272141 -0.000799889 0.002834864 0.115138920 -0.000214547 0.000544045 0.000576344 -0.000527022 0.002997284 0.000161953 0.000016432 -0.000138153 -0.000133502 0.004420260 0.000489852 0.000068846 -0.000355253 0.000418638 -0.010017202 -0.000049914 0.000048607 -0.000059748 0.000083843 -0.000902880 -0.000130293 0.000176920 -0.000005897 0.000029216 -0.000478633 0.000119864 -0.000184338 -0.000141851 0.000103261 0.001185499 -0.000010102 0.000010093 0.000016725 -0.000006896 0.000338435 -0.000053545 -0.000026383 0.000005829 -0.000003269 -0.000258849 0.000051296 0.000088005 -0.000007050 0.000004518 0.001604349 0.000030515 0.000032336 -0.000021308 -0.000026068 0.000208861 0.000067563 -0.000084145 -0.000077194 0.000057418 -0.000508216 -0.000028275 0.000002207 0.000136979 -0.000130674 0.000881663 0.000004927 -0.000055418 -0.000082717 0.000055021 0.001281190 -0.000005981 0.000068406 0.000052941 -0.000069252 -0.001179442 -0.000014383 0.000009121 0.000024796 -0.000028027 -0.000678868 0.000004721 0.000050471 0.000076764 -0.000071212 0.000357344 -0.000022666 0.000017099 -0.000033613 0.000053687 -0.001175328 0.000012018 0.000007695 0.000006003 -0.000035295 -0.000115588 0.000039754 -0.000024150 -0.000019960 0.000029541 -0.000184954 -0.000037192 -0.000151110 -0.000182675 0.000159741 -0.000447531 0.000016666 0.000114620 0.000145846 -0.000131468 -0.000556073 -0.000002071 0.000021598 0.000005464 -0.000016262 -0.000222974 -0.000004134 0.000017335 0.000033014 -0.000023297 -0.000142759 0.000004542 0.000006615 -0.000056010 0.000011725 0.000114597 -0.000027782 -0.000000590 0.000039521 -0.000024938 -0.000770011 -0.000014352 -0.000013978 0.000087989 -0.000022686 0.000335236 0.000024025 0.000037660 0.000033148 0.000011549 -0.000021036 -0.000010202 -0.000003063 0.000032347 -0.000021404 0.000109757 -0.000000579 0.000006666 0.000021500 -0.000025040 0.000148951 0.000013997 -0.000006243 -0.000005732 0.000025429 0.000397204 0.000006116 0.000034930 0.000020608 -0.000028118 0.000101023 -0.000000362 -0.000001362 -0.000004022 0.000007902 -0.000048497 -0.000000884 0.000001863 0.000003197 0.000002013 -0.000058425 0.000000471 -0.000009588 -0.000013456 0.000010121 0.000064547 -0.000005895 -0.000013474 -0.000033591 0.000005873 -0.000113308 -0.000003696 0.000004828 -0.000007918 -0.000004188 -0.000139086 0.000007640 -0.000000559 -0.000011795 0.000010637 0.000128843 -0.000007992 -0.000006122 -0.000009179 0.000001389 -0.000138707 -0.000006410 -0.000002297 0.000001506 -0.000003308 -0.000125028 -0.000001976 -0.000001948 -0.000004345 0.000002934 -0.000050309 0.000001937 0.000002772 0.000004124 -0.000001175 0.000010807 -0.000000054 -0.000002158 -0.000014033 0.000002037 -0.000040845 -0.000000061 0.000005121 0.000006260 -0.000003211 -0.000014601 0.000002145 0.000013472 0.000013089 -0.000014770 0.000056568 0.000000032 -0.000008451 -0.000006318 0.000004360 0.000059585 0.000003761 0.000001684 -0.000000732 -0.000006811 0.000091837 -0.000004681 0.000001837 0.000012123 -0.000004455 -0.000069445 0.000000092 -0.000002384 -0.000004270 0.000005542 0.000011917 0.002649668 0.000467504 0.001206957 -0.001132275 -0.193372990 0.000433888 -0.000655026 -0.003663597 0.003074880 -0.209306521 -0.003615166 0.001618033 0.003557775 -0.002221049 -0.044209776 0.005134659 0.000710930 0.001325243 -0.000053783 -0.106277802 -0.004051801 -0.000616500 0.000056478 -0.000354685 -0.024196286 -0.005765668 -0.000185278 -0.000378742 -0.002301810 -0.056835073 -0.000670094 0.000225495 0.000002944 -0.000425177 -0.006461967 0.000055894 0.000932957 0.000580207 0.000331398 -0.005658795 0.000106565 0.000084923 0.000047799 -0.001294426 -0.017634707 0.000039846 0.000063402 0.000033360 0.000058707 0.000212509 -0.000065993 0.000151225 -0.000187604 -0.000098595 0.000974670 -0.000121431 -0.000066457 0.000095137 0.000129627 0.000730925 -0.000147353 0.000135353 -0.000177655 -0.000080318 -0.000121088 0.000058860 -0.000225203 0.000058937 -0.000019439 0.001096416 0.000441725 0.000000754 -0.000036977 -0.000143436 0.000066196 -0.000024948 -0.000129382 0.000077208 0.000089336 0.000511591 -0.000042413 -0.000032961 0.000068417 0.000013437 -0.000551667 -0.000015403 0.000049546 -0.000031640 0.000003092 -0.000412422 0.000000116 0.000085927 0.000044633 -0.000023252 -0.001894922 -0.000012914 0.000098464 0.000045584 0.000076831 -0.000940694 -0.000014429 -0.000016825 -0.000023907 -0.000078465 -0.000762137 0.000286906 0.000001173 0.000021948 -0.000066945 -0.000561659 0.000079091 -0.000029378 0.000041866 0.000043061 -0.000205417 -0.000063175 -0.000125072 0.000030014 -0.000048292 0.001231410 0.000107232 -0.000017095 0.000002676 -0.000005692 0.000691939 -0.000021353 0.000030695 -0.000004001 -0.000010772 -0.000374223 -0.000013457 0.000050827 0.000003636 0.000036609 -0.000391581 -0.000008914 -0.000014224 0.000003416 0.000032510 -0.000423664 -0.000037252 -0.000022533 0.000003148 0.000010914 -0.000029454 -0.000058529 0.000083580 -0.000036045 0.000020980 -0.000381006 0.000483528 0.000132053 0.000094278 0.000029689 -0.005111856 -0.000146688 0.000014441 -0.000029429 -0.000106812 -0.000945894 -0.000220652 -0.000128047 0.000016740 -0.000065103 0.004538538 0.000109327 0.000039134 0.000078587 -0.000068944 -0.007300351 -0.000212723 0.000031804 -0.000083071 0.000014896 0.000429684 -0.000023646 -0.000085565 -0.000041474 0.000044890 0.006430165 0.000126686 0.000029369 0.000007405 0.000081802 -0.001780572 -0.000004406 0.000022601 0.000008126 0.000029789 -0.001073078 0.000051502 0.000061764 -0.000015896 -0.000009426 -0.000748178 -0.004758051 -0.000170745 0.000196964 -0.001094264 0.021093309 0.010897100 0.000492304 -0.000101925 0.001245574 -0.012715168 -0.007321445 -0.000266553 -0.000182412 -0.000125702 0.007344433 -0.001165660 0.000316765 -0.000343897 0.000074497 -0.005035158 -0.005127767 -0.000058643 -0.000066790 -0.000456527 0.014279985 0.006222256 0.000678426 -0.000145990 0.000552305 -0.008646632 0.001203495 0.000061753 -0.000096982 0.000144031 -0.005891639 -0.001067004 -0.000005101 0.000026713 -0.000095536 0.001410387 0.000159462 0.000044159 0.000058256 -0.000153485 0.003494682 0.697863639 0.047366159 0.605500314 0.011751244 -0.001817106 0.537751236 0.012627436 -0.003718922 0.061531431 0.504415578 0.017700840 -0.030995421 0.011582450 0.020785398 0.544208454 -0.002463944 -0.001693429 -0.248236780 -0.095606495 0.039564579 -0.001746182 -0.001872223 -0.099590613 -0.090610025 0.017188708 0.002440276 0.000646746 0.040408766 0.018003061 -0.055886642 -0.000509943 -0.000625866 -0.068751991 -0.034427143 -0.057163854 -0.003652573 0.002448785 -0.034250044 -0.105636732 -0.099095518 0.004381190 -0.002885203 -0.056273009 -0.098886148 -0.216391665 0.001201735 0.000646930 -0.123347544 0.049336346 0.017760872 0.001540874 -0.001208171 0.053200275 -0.139047385 -0.021788454 0.005270450 0.002207100 0.012603233 -0.016915666 -0.083053759 0.002569459 0.000690393 0.005719318 0.012108702 0.018364485 -0.003980193 -0.000537582 -0.006154348 -0.014059710 -0.021056085 0.000433834 -0.000063798 -0.001281328 -0.003860318 -0.005108402 0.000403791 0.000756637 -0.000408807 0.013226520 -0.017553314 -0.001924245 -0.001475985 -0.000676094 -0.015327070 0.020284025 -0.000789220 0.000328909 0.001110824 -0.006126006 0.004976655 0.000509826 0.000293748 -0.025319423 -0.002396052 0.003185877 -0.000982358 -0.001199585 0.023676081 0.011983096 -0.004673004 -0.000874096 -0.000202814 0.008067793 0.000658128 -0.001737625 -0.000758780 -0.000073654 0.001634028 -0.001191340 -0.001345631 -0.000261520 -0.000035075 0.000755522 0.000463254 0.000681906 -0.000025730 -0.000008063 0.000107624 -0.000033685 0.000443738 -0.000597060 -0.000969262 0.000883882 -0.000125736 0.000621226 0.000248282 0.000349074 0.000988208 -0.000097430 -0.000181009 0.000497526 0.000495546 -0.000499132 0.001037944 -0.000219217 0.000081524 -0.000084394 -0.004550955 -0.003704020 0.001132502 0.000165171 0.000259549 -0.003026508 -0.002100286 0.000854621 0.000710360 0.000781779 0.000528652 0.000639625 -0.000566295 -0.000022769 0.000285316 -0.000810554 -0.001378851 0.000529278 -0.000065080 -0.000060536 0.001103816 0.000798905 -0.000260285 -0.000108345 -0.000062577 0.000551607 0.000476097 0.000182642 0.000198452 -0.000003397 -0.000047780 0.000241159 -0.000012273 -0.000227510 -0.000287434 -0.000008582 0.000016509 0.000104794 -0.000325888 -0.000236400 0.000154704 0.000147127 0.000248850 0.000234611 0.000239761 0.000212153 -0.000085825 -0.000041659 -0.000249999 -0.000324125 -0.000601366 -0.000280836 0.000596491 -0.000221012 -0.000282990 0.000133550 0.000283494 0.000178955 -0.000089416 -0.000089310 0.000001165 -0.000020095 0.000060352 0.000017366 0.000054225 0.000053116 -0.000032834 -0.000025474 -0.000100525 -0.000076294 -0.000017642 -0.000094300 -0.000012726 -0.000011064 -0.000025644 0.000065071 0.000210978 -0.000227338 0.000020695 0.000143494 0.000399815 0.000111225 -0.000340875 0.000118121 0.000050736 -0.000184324 -0.000063733 -0.000105251 0.000103809 0.000201746 0.000203133 -0.000025621 -0.000203886 -0.000090133 -0.000176743 0.000127123 0.000147622 -0.000110191 0.000034004 0.000033377 -0.000120520 -0.000066498 0.000072183 -0.213656161 -0.037559049 -0.004767308 -0.000426221 0.008000702 -0.453921525 -0.048426036 -0.001230669 -0.003290148 0.005724734 -0.066129449 -0.116612354 0.002011157 -0.000513829 0.002844013 -0.047713316 -0.101065583 -0.073202614 -0.011287614 -0.010155434 -0.095802241 -0.029259317 -0.003771940 -0.140842211 0.069319308 -0.025511918 -0.280073470 -0.024868122 0.072415098 -0.158604382 -0.000381226 0.010327265 0.002015076 0.006204908 -0.000535136 -0.011502732 0.001437418 -0.011769636 -0.010829926 -0.002159350 -0.024877840 0.005051030 0.016531682 0.016158122 -0.000281073 0.000729369 -0.000167606 0.000107460 0.000069368 0.000019631 0.002567353 0.000504210 -0.000064144 -0.000013169 0.000061860 0.000933415 0.000422730 -0.000032601 0.000028115 0.000062216 0.000825957 -0.000084180 0.000001535 0.000066282 -0.000072644 -0.000355871 0.001075568 -0.000052578 -0.000018952 -0.000004908 0.000819096 0.000807132 0.000019037 0.000088283 -0.000132907 0.000240129 0.000233322 -0.000012894 -0.000050123 0.000113266 -0.001077457 -0.000341926 0.000007367 0.000003905 -0.000033735 -0.000276400 -0.000719550 0.000085663 0.000021583 -0.000014743 -0.001968653 -0.001092076 0.000071199 0.000068792 -0.000187315 -0.000776536 -0.001070605 0.000043171 -0.000006881 -0.000002785 -0.001149565 -0.000211350 -0.000007817 0.000018344 -0.000070055 -0.000740967 -0.000028188 0.000049786 -0.000597209 0.000039229 -0.000727315 -0.000477210 -0.000054110 -0.000475276 0.000212271 0.000865523 0.001921841 0.000086520 0.000215545 -0.000080710 0.000720936 0.000524483 0.000091541 0.000105721 -0.000137475 -0.000325387 -0.000000190 -0.000059017 -0.000136672 0.000002265 -0.000265371 -0.000522692 0.000048308 0.000069380 -0.000041418 -0.000659116 -0.000865072 0.000003998 -0.000199451 0.000137830 0.000024294 -0.000078220 0.000006581 0.000019541 0.000054291 -0.000215476 -0.000802227 0.000047124 -0.000069516 0.000024595 -0.002316389 -0.002422941 -0.000909040 -0.000144132 0.000044092 0.000466191 0.000621348 -0.000714486 -0.000943293 0.000740471 -0.000378634 0.001963442 -0.000963124 0.000090464 -0.000558800 -0.003627425 0.000777696 -0.002190968 -0.000556490 0.000281356 0.000602690 0.000043331 0.001165123 0.000491279 -0.000151666 0.004034704 0.000652748 -0.001309390 -0.001033388 0.001075755 -0.000928703 -0.002143497 0.000079548 -0.000235893 0.000336685 -0.001731397 -0.001451829 0.000099182 0.000396329 -0.000010554 -0.000771822 -0.000293181 0.000442681 0.000768490 -0.000651229 0.026257713 0.041634735 -0.000085515 0.006066635 -0.005451644 -0.017482484 -0.043803416 0.006775423 -0.009056307 0.003832212 -0.007362558 -0.000905283 -0.005263578 0.004553442 0.004074518 -0.006139358 -0.006249517 -0.003075571 0.001409014 0.002036660 0.007915480 0.025983680 0.001520536 0.001190457 -0.003852592 -0.002988814 -0.021465188 0.000840119 -0.002400754 0.000808071 -0.003233793 -0.006235412 0.000307194 -0.000501727 0.001570711 0.001302313 0.003809009 -0.000086015 -0.000125009 -0.001610021 0.003250585 0.005369308 -0.001232457 0.000987457 -0.000787002 0.271694882 0.100141340 0.104702058 -0.044390208 -0.024257675 0.056654593 -0.005437288 -0.012251923 -0.023915670 0.069440576 -0.002116980 -0.006068252 -0.010200619 0.032917818 0.118104355 0.001152908 0.003617583 0.006026319 0.062529766 0.107300520 -0.021253676 0.025083245 0.007075642 0.005147430 -0.006871435 -0.008512823 0.008328979 0.002623016 0.012252514 -0.013467397 0.003597283 -0.004402461 -0.001711126 0.019243204 -0.021160813 0.000669900 -0.000288868 0.000424283 -0.002495622 0.004060993 -0.000196931 0.000888620 0.000383609 0.003546545 -0.003400325 0.000191255 0.000008982 -0.000087639 0.001072719 -0.000682779 0.000410612 -0.000255437 -0.000615913 0.000641946 -0.000527883 -0.000059483 0.001074077 -0.000059004 -0.000875395 0.000295348 -0.000745510 0.000300029 0.000332369 -0.000344533 0.000473478 -0.001074809 0.002422184 0.000101072 0.001884278 -0.001295261 0.004942547 -0.004130694 -0.001487412 0.000341726 0.000593146 0.000796295 -0.001218733 0.000318345 0.000954436 0.000382707 0.000287076 0.000006705 0.000348311 -0.000096258 0.000857209 0.000085667 -0.000011418 0.000129298 -0.000233207 0.000360356 -0.000135161 0.000253935 0.000136173 -0.000506657 0.000278024 0.000384624 -0.000061613 -0.000236347 -0.000066122 0.000070645 -0.000051364 -0.000089877 0.000012660 -0.000085970 0.000018731 0.000027621 -0.000139067 -0.000017115 0.000018983 -0.000009436 -0.000973468 0.001229720 0.000408745 0.000071727 0.000025992 -0.000929647 0.000761513 0.000266269 0.000127759 0.000082796 0.000189128 -0.000124283 0.000265717 -0.000015625 0.000249413 -0.000395946 0.000417079 0.000123169 -0.000016167 0.000125715 0.000321469 -0.000320308 -0.000088347 -0.000067286 0.000001734 0.000135100 -0.000160476 -0.000050159 -0.000079027 0.000036246 0.000015023 -0.000059399 -0.000051058 -0.000045539 -0.000161801 0.000051510 0.000004137 0.000043500 -0.000116951 0.000121069 0.000048094 -0.000024221 0.000007459 -0.000158338 0.000169316 -0.000053468 -0.000017315 0.000003831 0.000042671 -0.000064401 -0.000102210 0.000101505 0.000000732 -0.000015752 -0.000025863 0.000131146 -0.000068550 -0.000044539 -0.000040450 -0.000036445 -0.000002318 -0.000002362 0.000000076 -0.000013011 0.000061514 -0.000014905 -0.000001235 -0.000005136 0.000010902 0.000011679 -0.000039101 0.000019938 0.000004679 -0.000008299 0.000051996 0.000069089 -0.000038507 -0.000008709 0.000009801 -0.000033297 0.000023991 -0.000032510 0.000011671 -0.000042602 0.000060600 -0.000021245 0.000029350 0.000012417 0.000038719 -0.000068867 -0.000020780 0.000007519 0.000010760 -0.000011337 0.000037924 0.000082208 -0.000049569 -0.000014816 -0.000024939 -0.000000973 -0.000035984 0.000021032 0.000008252 0.000014197 0.000012952 0.001119124 0.001032135 -0.000863231 0.000390119 -0.000177573 0.001577893 0.001639121 -0.002204218 0.000790696 0.000858864 -0.000773613 -0.000114810 0.000390344 -0.000681316 -0.000653521 0.006209634 -0.015874691 0.020076713 -0.001731806 0.007992975 -0.000864830 -0.014250325 0.012992299 -0.001712133 0.010297338 0.002936866 0.005829628 -0.003425617 -0.000071902 0.019648246 -0.000428584 -0.000576061 0.000350405 0.000585668 -0.000199702 0.001281758 -0.001171307 0.001807189 0.000549323 0.000848005 -0.000111000 0.004127631 -0.003357406 0.000276327 -0.000374682 0.000002120 -0.000113078 0.000004139 0.000012539 -0.000003696 -0.000003180 0.000046972 0.000044998 -0.000026507 -0.000015467 -0.000002844 0.000041055 -0.000019153 0.000017363 -0.000000757 -0.000019546 -0.000013805 0.000021057 0.000005264 -0.000003562 0.000012530 0.000021981 -0.000001285 -0.000010937 0.000005364 -0.000022206 -0.000042882 0.000039737 -0.000007118 0.000000684 0.000010151 0.000008983 0.000005969 -0.000016570 -0.000003114 -0.000001368 0.000002331 -0.000021160 0.000011912 0.000005095 -0.000019146 -0.000081514 0.000026769 0.000002392 0.000000097 -0.000038103 -0.000023086 -0.000022518 0.000025906 0.000008427 -0.000000643 -0.000023933 -0.000002458 0.000010087 0.000000292 -0.000016103 0.000003508 -0.000056022 0.000022451 0.000012075 0.000148960 0.000248114 -0.000005190 -0.000078101 0.000021590 0.000235974 0.000347557 -0.000378057 0.000223801 0.000056293 -0.000126203 0.000100091 -0.000200856 0.000137966 0.000020748 -0.000023414 -0.000210278 0.000183691 -0.000082815 -0.000023497 0.000070560 0.000118896 -0.000074037 0.000027918 0.000018943 -0.000026265 -0.000097745 0.000073886 -0.000035687 -0.000012190 0.000078921 -0.000009044 -0.000024629 0.000004338 0.000010558 -0.000009987 -0.000016448 0.000014892 -0.000015896 -0.000010254 0.000019837 0.000007464 -0.000011595 0.000003855 0.000001991 -0.000931732 0.000458485 -0.000038621 -0.000181978 0.000136581 0.002130241 -0.000225823 0.000978161 -0.000068532 -0.000207734 -0.000218581 -0.000490294 0.000905141 -0.000188933 -0.000338848 -0.000084099 0.000419230 -0.000980292 0.000317721 -0.000066942 -0.000014551 0.000384504 -0.000154724 0.000181422 0.000029720 -0.000186226 0.000844018 -0.000761566 0.000102333 0.000046083 -0.000120536 0.000482997 0.000102292 -0.000124345 0.000008580 -0.000244825 -0.000127788 -0.000231792 -0.000025879 0.000012166 -0.000568954 -0.000193468 -0.000027133 0.000139410 0.000061207 -0.001402139 -0.002976239 0.001597761 0.000186825 -0.000532841 0.000746295 0.001169736 -0.001412989 -0.001233169 0.000612053 0.000399743 0.001333187 -0.000065006 -0.001791970 0.000781144 0.000240134 0.000656258 -0.000257264 0.000027770 0.000110921 -0.000332935 -0.000676223 0.000842897 0.000157125 -0.000091741 0.000043495 0.000027701 -0.000599279 0.000556993 -0.000052112 0.000274680 0.000090749 -0.000193841 0.000012601 -0.000147152 -0.000370451 -0.000056162 0.000018272 0.000617553 -0.000118148 -0.000196305 -0.000535968 0.000117213 0.000729734 -0.000263373 0.237040347 -0.002072688 0.484812520 -0.003608732 0.026207400 0.526052941 -0.005934743 0.022170117 -0.005576644 0.599653777 0.001143414 -0.073999785 -0.043965922 -0.068314121 0.086359665 -0.001208744 -0.043038045 -0.111472497 -0.099896147 0.044271531 0.001042662 -0.067455434 -0.103151642 -0.222852534 0.072257394 0.000397096 -0.048407643 -0.004995480 0.003171437 0.000044416 -0.000158109 -0.005643444 -0.145516265 0.119304144 0.001466831 0.000753374 0.004168260 0.120329789 -0.201237279 0.001773483 -0.000602668 -0.186216327 -0.043522804 0.014942782 -0.012434519 0.000105168 -0.040829207 -0.100374041 0.007861657 -0.014821269 0.000129060 0.015499282 0.006683168 -0.086176154 -0.025533846 0.000909510 -0.012293423 -0.013396526 -0.027679969 -0.005644748 0.000078284 -0.004838288 -0.005651758 -0.010107309 -0.002259150 0.000047765 0.002639412 0.002566574 0.004732990 0.001405320 -0.000014911 -0.000642234 -0.022662326 0.024290790 0.001092150 -0.000002674 -0.001335068 -0.007447217 0.008746432 0.000182523 -0.000077578 0.001465795 0.003188043 -0.003914360 0.000277887 0.000189134 -0.023072581 0.024544372 0.008948213 0.001284618 0.000220717 -0.003090405 0.011297009 0.002038469 -0.000623157 0.000286437 0.004414667 -0.003822818 -0.002581287 -0.001612945 0.000092034 -0.001046382 0.005432838 0.001193049 0.000634854 -0.000024755 0.001535121 -0.003937994 -0.001264565 -0.000047399 -0.000010207 0.000075158 -0.002166753 0.000151941 0.000330953 -0.000169468 0.001734717 0.000348926 0.001281495 -0.000341410 0.000140263 -0.001270863 0.000565126 0.000730505 0.000656925 0.000108232 -0.000834385 0.000329704 0.000204396 0.000868434 -0.000065172 0.000724042 0.001096896 -0.000743662 -0.000129645 -0.000035123 -0.000076075 0.000980221 -0.001384414 0.000156860 -0.000031444 -0.000024007 -0.001031755 0.000259836 0.000049165 0.000042177 -0.000089571 0.000197596 -0.000149798 0.000148885 -0.000002238 -0.000021322 0.000060578 -0.000182544 -0.000128688 0.000035920 -0.000173670 0.000314535 0.000030520 0.000180480 -0.000006246 -0.000706588 0.000295647 0.000621569 -0.000030122 0.000058673 0.000107092 -0.000583658 0.000645759 0.000060849 -0.000033769 0.000085678 -0.000038156 0.000567959 -0.000100157 0.000022788 0.000136932 -0.000057726 0.000451630 0.000035747 0.000018391 -0.000739524 -0.000156185 0.000429285 0.000079250 -0.000002216 0.000401433 0.000268604 -0.000281248 -0.000014217 0.000116899 -0.000207646 0.001855530 -0.001213939 -0.002230794 0.000183873 -0.000261712 -0.001322032 -0.003334164 -0.001324305 0.000800450 -0.000092547 -0.000357698 0.000294400 -0.001226847 -0.009492009 -0.002512211 0.013621863 -0.015647903 0.000674051 -0.011590900 0.005797790 -0.019951103 0.017405412 -0.001887090 -0.020574669 -0.006434653 0.006172973 0.001684048 -0.000846539 0.000288267 0.000128890 0.000508955 -0.000395233 -0.000052345 0.000395365 -0.000808039 -0.000278666 0.000824355 -0.000003062 0.000994784 0.000348567 -0.000331454 -0.000559707 -0.000031418 0.000010247 -0.000015760 -0.000041564 0.000023196 -0.000006069 -0.000007154 0.000008439 0.000039860 0.000004587 0.000017719 -0.000001812 0.000002371 0.000034961 -0.000020046 0.000011982 0.000025534 -0.000001224 0.000002455 0.000021581 -0.000002982 -0.000025366 0.000003263 0.000015947 -0.000009744 0.000005834 0.000016900 -0.000002390 -0.000010986 0.000017574 -0.000009067 -0.000037274 -0.000007612 0.000003311 -0.000016116 0.000018830 0.000007855 0.000001987 -0.000004265 0.000000165 -0.000009346 0.000002926 -0.000023294 -0.000049669 0.000015310 -0.000002345 0.000037944 -0.000002408 -0.000033390 0.000024223 -0.000020239 0.000017726 -0.000002786 -0.000023497 0.000001134 -0.000009411 0.000012519 0.000001903 -0.000011238 0.000012316 -0.000007797 0.000051046 0.000160382 0.000134037 0.000048691 -0.000014878 0.000102246 0.000145178 0.000228019 0.000005687 -0.000017556 0.000057954 -0.000000920 0.000078406 0.000005595 -0.000005938 -0.000012822 -0.000028374 -0.000121216 0.000034858 -0.000002101 0.000026568 0.000050801 0.000058399 0.000002795 -0.000009711 -0.000010903 -0.000028504 -0.000064319 0.000006655 -0.000000698 -0.000015119 0.000014711 -0.000004607 0.000011467 0.000003214 -0.000029093 -0.000017316 -0.000013749 -0.000014613 0.000009604 0.000008902 0.000008374 0.000000581 0.000008563 -0.000001871 -0.000011935 0.000068181 -0.000021947 0.000195516 -0.000060554 -0.000045241 0.000263471 -0.000025685 0.000173409 -0.000001297 0.000332030 0.000222134 -0.000427798 0.000303753 -0.000089525 0.000026185 0.000157062 0.000160733 0.000067062 -0.000055246 0.000119233 -0.000023260 0.000134130 -0.000111760 0.000057196 -0.000076093 0.000315338 0.000455853 -0.000102285 0.000073267 -0.000213537 -0.000033145 0.000158137 -0.000150817 0.000054280 -0.000065433 -0.000167785 -0.000081879 -0.000071113 0.000007426 0.000084416 -0.000205783 -0.000153061 0.000083904 -0.000032326 0.001453187 0.000141723 -0.001928732 0.000622472 -0.000407067 -0.002458935 -0.001126485 0.000587955 -0.000382037 0.000423943 -0.001505523 -0.000882251 0.001723768 -0.002749496 0.000272927 -0.000004360 0.000136085 0.000881818 -0.000786356 0.000073662 0.001029707 0.000385733 -0.000551890 0.001205107 -0.000262522 0.000075540 0.000128008 -0.000286047 0.000325851 0.000034271 -0.000433454 0.000122429 -0.000423695 0.000185586 0.000129904 0.000602591 -0.000079790 0.000187271 0.000107658 -0.000156317 0.001120661 0.000376720 -0.000313084 0.000466028 -0.000274562 0.121206058 0.112559781 0.237366583 0.007125137 -0.006649612 0.056305783 0.011397823 -0.011678406 0.002368598 0.159946350 0.017028921 -0.017245087 -0.006262064 -0.134082506 0.212331672 -0.003084418 0.002608862 -0.000875306 -0.000039712 -0.000883250 -0.005684009 0.003135515 -0.020940185 -0.007142658 0.001832401 -0.008994714 0.005566550 0.025853728 0.008288863 -0.003480197 -0.002088226 0.001877144 0.001336746 0.000151853 0.000618769 -0.000192482 0.000488687 0.000362927 0.000031998 -0.000206045 0.000173154 0.001246305 -0.000522660 -0.000081559 0.001105150 0.000153467 -0.000399655 -0.006239128 -0.002203451 0.001050738 -0.000060540 -0.000028497 -0.001937403 -0.000446609 0.000102014 -0.000264147 0.000596184 0.001187627 0.000591251 0.001285944 0.001001888 0.000405664 0.000966859 0.000159018 0.000053259 0.000611280 0.000290683 -0.000413954 -0.000157628 0.000807574 0.000382494 0.000785143 0.000085973 -0.000393984 -0.000421011 0.000126459 -0.000003076 0.000135830 -0.000096011 0.000172735 -0.000018285 0.000194917 0.000074924 0.000118755 -0.000281103 0.000177796 0.000163428 -0.000301904 0.000030976 0.000161487 -0.000168764 -0.000583513 -0.000083883 -0.000000199 -0.000011241 0.000422032 0.000170899 0.000036278 0.000028458 0.000055119 0.000178191 0.000110641 -0.000007367 -0.000041707 0.000094130 -0.000124772 -0.000256476 -0.000496389 0.000483962 0.000336921 0.000166227 0.000045663 0.000868118 -0.000735988 0.000868879 0.000081270 0.000000000 0.000137493 -0.000065537 0.000143654 -0.000065760 0.000168723 -0.000037228 -0.000212416 0.000065319 -0.000063048 0.000070416 -0.000039030 -0.000016023 -0.000039867 0.000000741 0.000050435 -0.000120800 -0.000018254 -0.000088974 -0.000153367 -0.000121352 -0.001382075 0.001616551 -0.000296579 -0.000012206 0.000045154 0.001328145 -0.000332350 -0.000804341 -0.000039472 -0.000248198 0.000117153 -0.000138848 0.000155694 -0.000039830 -0.000004434 0.000113015 0.000209978 -0.000440886 0.000006807 0.000021135 0.000035678 0.000202994 -0.000312656 -0.000055966 0.000034692 -0.000123285 -0.000214324 0.000220649 0.000489458 -0.001434427 -0.000463187 0.000614675 -0.000276599 0.002508808 0.001246102 -0.000258722 0.001576459 0.000670680 0.000569663 -0.001861478 -0.000085170 0.000101091 -0.000061397 -0.001394994 0.000255264 -0.002086325 0.004239641 -0.000340813 0.001749891 0.000645213 0.002811596 -0.002826955 0.000303449 0.000345514 0.000400197 0.001346700 -0.001177086 0.000699067 0.000123865 -0.000047443 -0.000246371 0.000163446 -0.000088834 0.000061095 0.000005422 0.000604935 -0.000235630 0.000024114 0.000048314 -0.000006839 -0.000201477 0.000156706 0.000066465 0.000001292 0.000008940 -0.000003758 -0.000000180 -0.000008757 -0.000025076 -0.000006690 -0.000005798 0.000001189 -0.000006427 -0.000014228 0.000001586 -0.000007284 0.000005522 -0.000004555 0.000007682 -0.000008182 0.000014746 -0.000024172 0.000016740 -0.000017424 0.000003429 -0.000005406 0.000008700 -0.000010931 0.000012050 -0.000014402 0.000023145 -0.000036218 0.000028481 -0.000027598 0.000014708 -0.000024007 0.000038682 -0.000033512 0.000012445 -0.000002131 0.000004811 -0.000005067 0.000007660 0.000005087 0.000011983 -0.000005574 0.000011316 -0.000012497 0.000039274 -0.000010594 0.000023015 -0.000034515 0.000028904 0.000024056 0.000001775 0.000002529 0.000000012 0.000006826 0.000009278 -0.000001480 0.000006821 -0.000012390 0.000005245 0.000010910 -0.000018831 0.000009451 -0.000013068 0.000024109 0.000006275 0.000006928 -0.000015101 0.000017835 0.000000103 0.000002957 -0.000017914 0.000017148 -0.000036758 0.000023916 0.000009084 -0.000002256 0.000013149 -0.000018755 0.000007464 0.000006654 -0.000005762 0.000007687 -0.000018052 0.000014622 0.000006226 0.000004886 -0.000000850 0.000004040 -0.000004224 -0.000016264 0.000028064 -0.000034340 0.000056466 -0.000049914 -0.000013581 0.000006911 -0.000011737 0.000021714 -0.000017758 0.000004500 0.000004586 -0.000005579 0.000008671 -0.000004518 0.000006361 0.000041523 -0.000023567 0.000061128 -0.000085075 0.000007708 -0.000021552 0.000030596 -0.000048516 0.000003849 0.000142562 0.000013504 0.000076301 -0.000103455 0.000075291 0.000020437 0.000007994 0.000034936 -0.000039390 0.000032870 -0.000025920 -0.000027887 -0.000022827 0.000026459 0.000004986 -0.000090683 -0.000009157 -0.000074709 0.000084205 -0.000045314 -0.000089631 0.000005426 -0.000062960 0.000107489 -0.000071274 0.000002362 0.000007381 -0.000007041 0.000025513 -0.000010655 0.000055683 0.000003877 0.000048188 -0.000075564 0.000039587 0.000735433 -0.000377325 0.000682078 -0.001119285 0.000830703 -0.000783580 0.000269119 -0.000499054 0.000926062 -0.000771791 -0.000396351 -0.000216125 -0.000431767 0.000783024 -0.000090410 -0.000122548 0.000144689 -0.000345913 0.000531012 -0.000233065 0.000442279 -0.000253283 0.000584561 -0.000924349 0.000544691 -0.000077629 0.000233912 -0.000177913 0.000271737 -0.000276069 -0.000125199 0.000055315 -0.000010351 -0.000000806 -0.000118457 0.000184350 0.000027593 -0.000010773 0.000011876 0.000028213 0.000452249 0.000053819 0.000100364 -0.000199134 0.000127706 0.492091665 0.008962157 0.544564401 0.025632702 -0.019656382 0.590695848 -0.077753382 -0.036187844 -0.072323448 0.087653810 -0.035461463 -0.093447651 -0.085071188 0.039554785 0.099695060 -0.071807746 -0.086627504 -0.222831835 0.077055371 0.098240776 -0.046327888 0.002350115 -0.004372625 -0.000618180 0.007798647 0.002030148 -0.178360199 0.129209336 -0.000160461 0.011415150 -0.004481261 0.130764079 -0.183145903 0.000059726 0.017976644 -0.129906165 0.055156958 0.023371898 0.006493069 -0.008352818 0.052469002 -0.146312637 -0.027612233 0.010189460 -0.011261067 0.024346441 -0.026387516 -0.094466152 0.018742484 -0.020856028 -0.018766527 -0.009490490 0.002538590 0.000828401 0.000096493 0.024440734 0.010016782 -0.004557590 -0.000665112 0.000771787 0.010043154 0.004279383 -0.002571099 0.000016935 0.000520860 0.006627835 0.009107074 0.018889027 -0.002126948 0.003282635 -0.007725967 -0.011062900 -0.021527524 0.003777511 -0.003135607 -0.003443224 -0.004465588 -0.008632861 0.001418995 -0.001603201 -0.001927513 0.016650516 -0.016855929 0.000787854 -0.001136823 0.005794106 -0.021299553 0.016537567 -0.000780990 0.000904773 -0.002031905 -0.005148024 0.008611208 0.000665748 -0.001169288 0.000078874 -0.000690788 -0.000759010 0.000009159 0.000384080 0.000104648 0.002063214 0.000893701 -0.000356330 -0.000289749 0.000723390 -0.001411342 0.001082392 -0.000439310 0.000891314 0.000107844 0.000060597 0.000485913 -0.000026441 0.000032487 -0.001022464 0.000528988 -0.000337200 0.000108490 -0.000034757 -0.000111461 -0.000934184 0.000437141 -0.000061558 0.000008795 0.000762394 0.000267176 -0.001129359 -0.000017071 0.000067171 -0.000759308 -0.002513293 0.005423455 -0.000264992 0.000427270 0.000440461 0.002340737 -0.003533268 0.000099673 0.000288975 0.000375453 0.000273353 0.000005013 -0.000129032 -0.000073299 -0.000521754 0.000867438 0.001195360 0.000774769 0.000266339 0.000015119 0.000253516 -0.000298742 -0.000220254 -0.000060722 -0.000689759 0.001927403 -0.001273386 -0.000433904 0.000169846 -0.000395163 0.001277395 -0.000155273 0.000429575 -0.000112999 0.000791401 0.000619083 -0.000021449 0.000430713 -0.000088843 -0.000241220 -0.000189455 0.000427219 0.000051573 -0.000078947 -0.000341590 -0.000288111 0.000383404 0.000015408 -0.000008065 -0.000172971 0.000045904 0.000433057 -0.000074952 -0.000016769 -0.000000975 0.000032227 0.000001164 -0.000001660 -0.000000602 0.000010798 -0.000002372 -0.000009581 -0.000007343 -0.000005335 0.000012869 -0.000001393 -0.000004355 -0.000004026 -0.000000985 -0.000004082 -0.000010524 -0.000008761 0.000004108 -0.000000474 0.000005024 -0.000010170 0.000009794 -0.000002088 -0.000001124 -0.000006050 -0.000014695 -0.000000361 0.000007348 -0.000001021 0.000013572 0.000026715 0.000009717 -0.000013340 -0.000002607 -0.000005168 -0.000007789 0.000000775 0.000004001 0.000002249 -0.000002180 0.000037489 0.000004088 -0.000003478 -0.000000194 -0.000016209 -0.000017258 -0.000005376 0.000011287 0.000004754 -0.000008046 0.000008895 -0.000005431 0.000003590 0.000002762 -0.000008904 -0.000017318 0.000001532 0.000007021 0.000003728 -0.000003045 -0.000087035 -0.000008247 0.000007460 0.000000556 0.000036754 -0.000097659 -0.000010460 0.000000174 0.000003383 0.000023237 -0.000048995 -0.000013622 0.000008108 0.000001083 -0.000018619 0.000050610 0.000008682 0.000000762 -0.000004497 -0.000003747 -0.000049072 -0.000011682 0.000010164 0.000004103 -0.000010795 0.000036622 0.000003079 -0.000000700 -0.000000030 0.000003231 0.000029876 0.000012953 -0.000008247 -0.000000218 0.000003567 0.000015438 0.000006342 -0.000006116 -0.000001400 -0.000000054 0.000008598 -0.000002097 -0.000002135 0.000000348 -0.000051143 0.000105415 0.000044079 0.000001936 -0.000000182 -0.000043592 -0.000069240 -0.000031844 0.000009886 -0.000011481 -0.000129555 0.000089039 -0.000029786 0.000054925 -0.000025548 -0.000042202 -0.000104970 0.000011225 0.000021143 0.000009475 0.000085589 -0.000098928 -0.000033135 -0.000013203 0.000008382 0.000068321 -0.000160308 -0.000030087 -0.000016350 -0.000007404 0.000039103 -0.000027117 0.000015517 -0.000028400 0.000005172 0.000002288 0.000073367 0.000022310 -0.000010084 0.000003427 -0.000005487 0.000064810 -0.000005284 0.000012266 0.000005969 -0.000313485 -0.000118984 0.000047350 0.000316188 -0.000047531 0.000117947 0.000605905 0.000342916 -0.000379864 0.000046164 0.000310936 0.000161206 0.000125241 -0.000140482 -0.000001364 0.000224720 0.000084468 -0.000045223 -0.000067750 -0.000005564 -0.000309557 -0.000560743 -0.000066372 0.000273359 -0.000028529 0.000056924 0.000287488 -0.000021976 -0.000094662 0.000016169 -0.000068208 -0.000076825 -0.000000456 -0.000037147 0.000015326 0.000072527 0.000151977 -0.000030354 0.000039579 -0.000019288 -0.000074390 0.000048986 -0.000097073 0.000134454 -0.000019286 0.238330363 -0.006985364 0.055633950 -0.010802325 -0.004843981 0.194051396 -0.016764264 0.000988332 -0.141336949 0.192094820 -0.003616183 -0.001974670 0.000353292 0.001061546 0.563119613 -0.003487735 0.015159741 -0.017061883 -0.009837703 0.049220005 -0.008946852 -0.015542769 0.017030993 0.008010097 0.012738761 0.000533845 0.000365012 0.000075599 -0.000597780 -0.249386965 0.000117291 -0.000246201 0.001097396 0.000276198 -0.095534937 -0.000024613 -0.000794389 -0.000007674 0.000468639 0.042010604 0.001898591 0.000672442 -0.000624505 -0.000351424 -0.079556067 -0.001413770 -0.000575571 0.000189680 0.000166357 -0.035739419 0.000545096 0.000225399 0.000038693 0.000717997 -0.073024639 0.000133369 -0.002314420 0.003410159 0.001229728 -0.085577982 0.000983753 0.002853545 -0.002022660 -0.001414554 0.008467808 0.001060532 0.002145063 -0.003021018 -0.000197628 -0.009548760 0.000170685 0.000011597 0.000063037 0.000225554 -0.001583390 -0.000685594 -0.000320143 0.000147672 -0.000107716 0.008668343 0.000582802 0.000303091 0.000035068 0.000316834 -0.007412537 0.000000860 0.000045849 -0.000179746 -0.000036472 0.005958052 0.000052921 0.000224405 0.000261784 -0.000058286 -0.021449602 0.000014382 0.000050386 -0.000115374 -0.000042795 0.020971193 0.000140047 -0.000067485 0.000234845 0.000272983 -0.002211185 0.000057531 0.001139362 -0.001030747 -0.000348875 0.016329327 0.000194382 -0.000596337 0.000990821 0.000459978 -0.017623291 -0.000038734 0.000250257 -0.000235797 -0.000139105 0.000082801 0.000166072 0.000686900 -0.000368835 -0.000575099 -0.000101449 0.000065303 0.000129482 -0.000137042 -0.000162519 -0.000017314 -0.000882897 0.000876092 0.000965407 -0.000453167 0.000846974 0.000416164 0.000014873 -0.000300697 0.000307952 -0.000823291 0.000190050 0.000043271 -0.000664132 0.000050166 0.000175463 0.000060056 -0.000856002 0.000874778 -0.000234496 0.000003622 0.000029041 0.000819692 -0.000336210 -0.000544638 0.000280209 -0.000131627 -0.000080187 0.000032378 0.000040015 -0.000049362 -0.000001229 0.000004225 -0.000002453 0.000001041 -0.000006282 -0.000000718 0.000001104 -0.000002597 0.000000563 0.000004856 0.000000588 0.000003794 -0.000005179 0.000000307 0.000002152 0.000007055 -0.000017871 -0.000001638 0.000004813 -0.000005386 -0.000005002 0.000001039 0.000005767 0.000000039 0.000005334 0.000008364 -0.000030555 -0.000002939 0.000007765 -0.000009455 -0.000014243 0.000030301 0.000002229 -0.000006381 0.000010038 0.000001532 -0.000003226 0.000000981 0.000000867 -0.000001411 -0.000005678 0.000013258 -0.000001101 -0.000001729 -0.000002266 0.000009421 -0.000020981 0.000000693 0.000007193 -0.000008474 0.000004264 0.000002557 -0.000003022 -0.000002009 -0.000004718 0.000003373 -0.000008128 0.000005741 0.000002082 -0.000000514 0.000008173 -0.000005398 0.000010026 -0.000010166 0.000015677 0.000001380 0.000019323 -0.000000344 -0.000013610 0.000031484 0.000012867 -0.000039906 -0.000007834 0.000019868 -0.000002399 -0.000000010 -0.000014913 -0.000002385 0.000004412 -0.000016416 0.000012161 -0.000012942 0.000002702 0.000000695 0.000002652 -0.000001657 0.000004835 -0.000001759 -0.000000639 -0.000008545 -0.000014622 0.000046197 0.000009409 -0.000017721 0.000013159 -0.000006940 0.000013729 0.000002618 -0.000003439 0.000003146 -0.000002222 0.000012078 -0.000000890 -0.000005096 0.000002369 -0.000028643 0.000109205 0.000039518 -0.000057314 0.000011122 0.000026894 -0.000063811 0.000029859 0.000021877 -0.000010054 0.000076847 -0.000147791 -0.000000406 0.000004033 -0.000072254 0.000007959 0.000007953 0.000039928 -0.000023873 0.000022287 0.000001886 0.000008045 -0.000025194 0.000001174 0.000031825 -0.000002981 0.000054568 0.000006528 -0.000033815 0.000071854 -0.000038548 0.000099557 0.000016751 -0.000030171 0.000042966 -0.000019696 0.000025297 -0.000005018 0.000000609 -0.000009638 0.000009261 -0.000038500 -0.000023482 0.000031656 -0.000032759 0.000439943 -0.001007715 -0.000184482 0.000099600 -0.000318407 -0.000579783 0.001235007 0.000188909 -0.000314081 0.000308227 -0.000175427 0.000286165 -0.000074612 -0.000009420 0.000044534 -0.000080513 0.000219569 -0.000003012 -0.000010702 0.000072099 0.000398088 -0.000796658 -0.000085800 0.000072768 -0.000160456 -0.000139604 0.000366626 0.000052626 -0.000086639 0.000076735 -0.000047919 0.000121559 0.000065110 -0.000010619 0.000047245 0.000029171 -0.000090406 -0.000050504 0.000036167 -0.000048199 0.000166435 -0.000257483 -0.000056831 0.000011102 -0.000072663 0.510581835 0.022029337 0.552962913 -0.095631622 0.043407603 0.269389012 -0.092467240 0.019590636 0.099587875 0.103186578 0.019210916 -0.060254109 -0.048235560 -0.025023330 0.060933429 -0.035897803 -0.074877328 -0.008299972 -0.010226184 -0.024100176 -0.088653142 -0.087274136 -0.003341113 -0.005285605 -0.010783259 -0.086127241 -0.236445141 0.002296861 0.003062462 0.007093389 0.010948688 -0.009624551 0.005065278 -0.021879860 0.020984992 -0.149382270 0.063938023 0.003542420 -0.012100655 0.010976046 0.063828589 -0.144075522 -0.001781337 0.004833278 -0.004849039 -0.001510472 -0.003160855 0.000278146 0.000496284 0.000467682 0.010204711 0.022624256 -0.000235080 0.000964048 -0.000696748 -0.009130111 -0.019913889 0.000616670 -0.000115505 0.000429411 0.002744669 -0.000533581 0.001191275 0.001308525 -0.000717349 -0.011257000 0.002687343 0.001112656 -0.003115676 0.003767034 0.011289017 -0.003514336 -0.000835064 0.004169716 -0.002811166 -0.000013196 0.001603955 0.000906191 -0.000114901 -0.000352499 -0.015034426 -0.010160961 -0.000505615 0.000249448 -0.000615691 0.015817577 0.008596615 0.000212423 -0.000711387 0.000952916 -0.000128101 -0.000165135 -0.000155145 0.000042196 0.000016228 -0.000123563 -0.000745472 0.000085799 0.000058531 0.000097231 -0.000267308 -0.000296833 -0.000215988 0.000056572 0.000036704 0.000117811 -0.000920072 -0.000221790 -0.000058614 0.000009468 -0.000161322 0.000384595 0.000009266 0.000112288 0.000010350 -0.000136954 -0.000051307 -0.000028038 -0.000006408 -0.000000087 0.000055251 -0.000056458 0.000032369 -0.000010664 -0.000003144 0.000211242 -0.000325211 0.000071536 -0.000047957 -0.000014445 -0.000088193 -0.000082049 -0.000056423 0.000024242 0.000019354 -0.000013504 -0.000003608 -0.000010221 0.000004235 0.000001632 0.000002111 0.000005476 -0.000002885 -0.000000723 -0.000001191 -0.000003285 -0.000003698 -0.000004613 -0.000000211 -0.000000079 0.000007428 0.000008863 0.000009970 -0.000001934 -0.000001525 0.000002348 0.000004958 0.000001983 0.000000436 0.000000033 0.000011864 0.000014401 0.000014949 -0.000002562 -0.000001123 -0.000017273 -0.000012260 -0.000024117 0.000004072 0.000002634 0.000004366 0.000000659 0.000005247 -0.000001222 -0.000000244 -0.000016072 -0.000008143 -0.000017275 0.000004077 0.000002553 0.000010341 0.000006739 0.000014405 -0.000003621 -0.000001223 -0.000004083 -0.000008057 -0.000001661 0.000000257 0.000000232 0.000008092 0.000007157 0.000011029 -0.000001547 -0.000001152 0.000035125 0.000001514 0.000029453 -0.000010301 -0.000005460 0.000022107 -0.000008071 0.000008573 -0.000008825 -0.000003641 0.000013932 0.000027737 0.000020373 -0.000004189 -0.000002622 -0.000010337 0.000003332 -0.000008253 0.000004049 0.000002371 0.000018250 0.000004390 0.000021451 -0.000004985 -0.000003556 -0.000012297 -0.000006527 -0.000009409 0.000003546 0.000001951 -0.000017291 -0.000017393 -0.000019884 0.000006043 0.000001589 -0.000008622 -0.000003555 -0.000009245 0.000002655 0.000001123 -0.000003743 -0.000008048 -0.000006479 0.000000446 0.000000386 -0.000022230 -0.000058142 -0.000026404 0.000008920 0.000003304 0.000022800 0.000020155 0.000026878 -0.000005438 -0.000006164 -0.000005629 0.000042476 0.000012133 0.000007259 -0.000000121 0.000047161 -0.000023844 0.000030731 -0.000013507 -0.000003906 0.000004292 0.000006073 0.000003924 -0.000004618 -0.000002448 0.000051450 -0.000017613 0.000023413 -0.000015055 -0.000010113 -0.000001431 -0.000034378 -0.000013688 -0.000000638 -0.000000310 -0.000024917 -0.000013238 -0.000022825 0.000007015 0.000005790 -0.000025449 0.000015670 -0.000012166 0.000005007 0.000004459 0.000171267 0.000310880 0.000311952 -0.000039178 -0.000018848 -0.000239725 -0.000499018 -0.000457163 0.000068929 0.000052801 -0.000006665 -0.000091809 0.000007790 -0.000000400 0.000016894 -0.000085149 -0.000070884 -0.000101308 0.000019060 0.000009883 0.000240274 0.000292797 0.000386322 -0.000066308 -0.000050782 -0.000136715 -0.000169215 -0.000219647 0.000037712 0.000018980 0.000004091 -0.000038133 -0.000021714 -0.000000716 -0.000002278 -0.000044659 0.000032963 -0.000022663 0.000012525 0.000005647 -0.000015189 0.000064347 0.000013794 0.000004550 -0.000002867 0.081412138 0.034329198 0.098734694 0.080161528 0.092950603 0.255960303 -0.001342075 0.009306396 -0.007342224 0.580029685 -0.001343189 0.009437369 -0.008505116 0.008984692 0.535043394 -0.002498844 0.023595238 -0.019074904 -0.011651013 0.042563218 0.000951131 0.000878641 -0.000646638 -0.073644963 -0.030182920 0.000955685 -0.003462454 0.003969909 -0.030497564 -0.086787657 0.000006093 0.004274926 -0.002219096 -0.068230733 -0.087728465 0.000590735 -0.000272999 0.000514468 -0.245400961 -0.115806545 0.000442496 0.001111238 -0.000348068 -0.114062069 -0.115621922 0.000550931 -0.000659100 0.000488560 0.033467543 0.018521763 -0.000267606 0.000060243 -0.000236155 -0.175631769 0.117911956 -0.000082289 0.000908509 0.000196721 0.117107368 -0.158194167 -0.000171069 -0.000720490 0.000746389 0.058543880 -0.055937690 0.000015255 0.000070552 0.000038948 -0.000081886 0.000084069 -0.000207826 0.000230686 0.000341186 -0.000261061 0.000220116 0.000042517 0.000180066 0.000101259 -0.000039453 0.000133703 0.000090975 -0.000009203 0.000022682 -0.000447035 0.000464318 -0.000070143 0.000049495 0.000023030 0.000139842 -0.000271018 -0.000063236 0.000163448 0.000137987 -0.000093743 0.000038501 -0.000005304 0.000007722 0.000012838 0.000012965 -0.000000970 -0.000032955 0.000031662 0.000042116 -0.000138648 0.000067908 0.000014616 -0.000007035 -0.000004066 0.000019205 0.000031696 0.000001901 0.000003408 0.000002433 -0.000002319 0.000002077 0.000001974 -0.000000906 -0.000003656 0.000000964 -0.000000306 0.000002398 0.000002915 0.000000602 -0.000000025 0.000002462 -0.000001838 -0.000001112 -0.000000651 0.000004044 -0.000004958 -0.000001181 -0.000005734 -0.000003167 -0.000001600 -0.000001834 -0.000003639 -0.000004441 -0.000001801 0.000006975 -0.000008299 0.000005764 0.000002372 -0.000000767 -0.000006181 0.000009548 -0.000001713 -0.000000539 0.000000471 0.000000881 -0.000001486 0.000003292 0.000004501 0.000002051 -0.000002812 0.000005889 -0.000003660 -0.000000088 0.000001474 0.000006166 -0.000005439 0.000000558 0.000005660 0.000004578 -0.000000530 0.000002494 -0.000003282 -0.000003714 -0.000000450 0.000000656 -0.000005018 -0.000005784 -0.000005475 -0.000001680 0.000002049 -0.000005631 -0.000001695 -0.000000258 -0.000000097 -0.000003662 0.000002832 -0.000004860 -0.000007791 -0.000004151 0.000008334 -0.000012489 0.000001338 0.000001100 -0.000000456 0.000003457 -0.000000501 -0.000004043 -0.000001937 0.000002401 0.000000796 -0.000006438 0.000001901 0.000004102 0.000002748 -0.000000970 0.000003572 0.000003361 0.000002802 0.000001109 -0.000013561 0.000010085 0.000001744 0.000000265 -0.000001115 -0.000003162 0.000003870 0.000001631 0.000003830 0.000001641 -0.000002046 0.000003955 0.000005091 0.000007047 0.000008082 -0.000028674 0.000020030 -0.000002847 -0.000006863 -0.000001852 0.000009789 -0.000012466 -0.000006547 0.000012634 0.000005281 0.000020651 -0.000019067 -0.000005609 -0.000003035 0.000003507 -0.000002576 0.000000715 -0.000000699 0.000001890 -0.000001743 0.000000059 0.000001999 -0.000000833 -0.000009237 -0.000007429 -0.000014416 0.000004516 0.000004583 -0.000002539 -0.000002881 -0.000019025 0.000016395 0.000003223 0.000003923 0.000001306 -0.000002799 0.000009320 0.000001144 0.000006608 0.000005757 0.000011196 -0.000005553 -0.000081431 -0.000005297 0.000022373 0.000184222 -0.000191376 0.000101570 0.000043261 -0.000011015 -0.000223084 0.000266710 0.000005698 -0.000036782 -0.000021976 -0.000029836 0.000053959 0.000023593 0.000013209 0.000001190 -0.000049667 0.000058177 -0.000083371 -0.000037683 0.000010642 0.000133901 -0.000188650 0.000046227 0.000056263 0.000017731 -0.000075632 0.000096983 0.000010470 -0.000008671 -0.000005794 -0.000020630 0.000013464 -0.000002623 0.000015863 0.000009841 0.000009438 -0.000006112 -0.000016256 0.000040128 0.000030572 0.000026054 -0.000030290 0.536268673 -0.067982269 0.071389180 -0.088697620 0.032076980 0.090151012 -0.247744909 0.075736271 0.092143302 0.268211808 0.034248978 -0.005881112 -0.002364370 0.001929148 0.261145979 0.018880816 -0.009214136 -0.005844125 0.002880006 0.123504070 -0.054775046 -0.024761164 -0.013220679 0.006077035 -0.037482443 0.057776751 0.008352352 -0.007838820 -0.002999632 -0.015796258 -0.054810083 0.007755833 -0.007139040 -0.002149442 -0.010972888 -0.075716526 0.020469710 -0.016016288 -0.006888140 0.001612338 0.000109884 0.000030630 -0.000022866 -0.000010556 0.000036143 0.000210622 0.000086516 -0.000005288 0.000110612 0.000018964 0.000133489 0.000044886 -0.000039074 0.000036104 0.000025825 0.000360473 0.000045701 -0.000068243 -0.000061176 0.000033774 -0.000156387 0.000000353 0.000039036 0.000061813 -0.000006366 0.000018948 0.000061466 -0.000000930 0.000094010 0.000009008 -0.000000833 0.000004571 0.000003066 0.000012397 -0.000001517 0.000088796 -0.000006815 -0.000012006 -0.000008756 0.000025414 0.000022683 0.000000605 -0.000004018 -0.000008010 -0.000000023 0.000003882 0.000002049 -0.000000492 0.000000397 0.000001606 -0.000000642 -0.000001214 -0.000000971 -0.000001920 0.000000296 0.000001780 0.000000535 -0.000000720 0.000000868 -0.000000001 -0.000006437 -0.000001328 0.000001590 0.000002446 -0.000002086 0.000000601 -0.000000997 0.000000067 -0.000003921 0.000001696 -0.000009794 -0.000001979 0.000002802 0.000002046 -0.000003234 0.000012096 0.000002371 -0.000003814 -0.000005717 0.000004450 -0.000002049 -0.000000386 0.000000709 0.000001113 -0.000001308 0.000007018 0.000002596 -0.000002139 -0.000001536 0.000002177 -0.000008629 -0.000001151 0.000002208 0.000004692 -0.000004137 0.000000916 0.000001553 0.000000099 0.000003863 -0.000000795 -0.000004738 -0.000000868 0.000001709 0.000000718 -0.000000703 -0.000010003 -0.000003541 0.000002969 0.000003146 -0.000004395 -0.000000006 0.000000404 -0.000000100 0.000000613 -0.000001223 -0.000013953 -0.000002114 0.000003298 0.000001301 -0.000002780 0.000000280 0.000000200 -0.000000342 -0.000000813 -0.000000246 -0.000008694 -0.000000644 0.000003543 0.000005467 -0.000002476 0.000004147 0.000001443 -0.000000869 0.000000633 0.000000908 0.000015499 0.000002117 -0.000004009 -0.000005843 0.000007001 0.000005676 0.000000226 -0.000002072 -0.000003484 0.000002703 0.000003595 0.000000824 -0.000001143 0.000000555 0.000000127 0.000027994 0.000004945 -0.000004819 -0.000004439 0.000008462 -0.000017419 -0.000001578 0.000004063 0.000004064 -0.000001636 -0.000019166 -0.000001425 0.000001335 0.000006761 -0.000002431 -0.000006668 -0.000000534 0.000003124 0.000005803 -0.000003996 0.000000860 -0.000001042 -0.000001619 -0.000000374 0.000000714 0.000001764 -0.000002958 -0.000000334 -0.000003996 0.000001905 0.000021049 -0.000001030 -0.000004701 -0.000008180 0.000005865 0.000011587 0.000001451 -0.000002946 -0.000003427 0.000001726 -0.000006490 0.000004350 0.000002049 0.000006318 -0.000003052 -0.000220001 -0.000021555 0.000056570 0.000089676 -0.000064587 0.000300760 0.000030176 -0.000073101 -0.000103182 0.000061759 0.000054255 -0.000017453 -0.000004469 -0.000027434 0.000000358 0.000073750 0.000010025 -0.000020715 -0.000027607 0.000025432 -0.000215732 -0.000031231 0.000056119 0.000075921 -0.000042347 0.000109054 0.000028272 -0.000030701 -0.000019610 0.000025271 0.000015016 0.000003072 -0.000004159 -0.000008655 0.000007093 -0.000001605 0.000005159 -0.000000243 0.000005236 0.000000810 -0.000034125 0.000013161 0.000005054 0.000028791 -0.000004558 0.122170530 -0.024591916 0.055841661 0.018655262 0.008243820 0.183756062 0.012329511 0.005900017 -0.129518525 0.169810973 -0.002424729 -0.002071418 -0.063078832 0.056496751 0.077155381 -0.000087401 -0.000010924 -0.000118959 0.000092183 -0.000004567 0.000023119 -0.000137179 -0.000072699 0.000079613 -0.000049707 -0.000104863 -0.000012903 -0.000116181 0.000093627 -0.000009529 -0.000222163 0.000016197 -0.000319568 0.000278796 -0.000038359 0.000131263 -0.000004931 0.000156077 -0.000090588 -0.000002674 -0.000005907 -0.000030355 -0.000024658 -0.000015629 0.000009427 0.000001030 -0.000011163 0.000012371 -0.000015266 0.000003207 0.000060314 -0.000011173 -0.000002219 0.000073332 -0.000047775 -0.000025722 -0.000005805 -0.000023402 0.000015961 0.000001623 -0.000004016 -0.000001198 -0.000004738 0.000003717 0.000000024 -0.000001243 0.000002278 -0.000000899 0.000000740 0.000000493 -0.000002514 0.000000595 -0.000002064 0.000001329 -0.000000131 0.000004416 0.000000826 0.000007523 -0.000007536 0.000000008 0.000001125 -0.000000426 -0.000001493 0.000002188 0.000000119 0.000006605 0.000000470 0.000010691 -0.000010490 0.000000305 -0.000010668 -0.000000428 -0.000016438 0.000015779 0.000000722 0.000002457 -0.000000064 0.000003624 -0.000003044 -0.000000225 -0.000007247 -0.000000923 -0.000009619 0.000008760 0.000000736 0.000006405 0.000000490 0.000011276 -0.000010630 -0.000000032 -0.000000994 -0.000000797 -0.000000088 -0.000000581 -0.000000442 0.000005079 -0.000000464 0.000005795 -0.000004725 -0.000000051 0.000011680 0.000001394 0.000014474 -0.000011672 -0.000001833 0.000000919 0.000000233 0.000000477 0.000000669 -0.000000162 0.000007999 0.000000656 0.000011726 -0.000012139 0.000001773 -0.000002320 0.000000223 -0.000000881 0.000000503 0.000000461 0.000008484 -0.000000860 0.000010561 -0.000009968 -0.000000917 -0.000003575 -0.000000870 -0.000004192 0.000003399 -0.000000214 -0.000007716 -0.000001319 -0.000016239 0.000016933 -0.000000888 -0.000003700 0.000000084 -0.000006933 0.000006806 0.000000173 -0.000002657 0.000000370 -0.000002748 0.000002794 -0.000000404 -0.000007777 -0.000004565 -0.000020305 0.000025194 -0.000004648 0.000008522 -0.000000805 0.000011569 -0.000011473 0.000001576 0.000009031 0.000000365 0.000016145 -0.000014126 0.000001100 0.000010603 -0.000000872 0.000012452 -0.000007834 -0.000002009 -0.000000711 0.000001724 -0.000001621 0.000000119 0.000000512 0.000004309 0.000003192 -0.000000478 0.000002821 -0.000001797 -0.000005403 0.000000680 -0.000015681 0.000017722 -0.000003534 -0.000008604 -0.000000569 -0.000010408 0.000008956 -0.000000017 -0.000004089 -0.000002450 0.000001217 -0.000004814 0.000003159 0.000136622 -0.000003351 0.000223385 -0.000221653 0.000009468 -0.000179550 0.000007228 -0.000266548 0.000279249 -0.000024474 -0.000015303 0.000003949 -0.000025879 0.000000830 -0.000009274 -0.000053214 -0.000002301 -0.000083908 0.000072156 0.000001442 0.000167697 -0.000007191 0.000215481 -0.000203061 0.000002854 -0.000089581 0.000000232 -0.000114452 0.000115041 -0.000001430 -0.000006871 -0.000000811 -0.000019041 0.000027442 -0.000001144 -0.000009886 -0.000001210 -0.000004724 -0.000004104 0.000004520 0.000004670 -0.000006861 0.000017504 -0.000020804 0.000007964 0.189957707 0.268090192 0.528546498 0.059182384 0.082531255 0.120728075 0.006922041 -0.015714702 -0.023884595 0.307165897 -0.040421100 -0.041370275 -0.046776031 0.229788574 0.515322631 -0.030404820 -0.048953284 -0.005815017 0.147543912 -0.048538236 0.003177883 -0.005348809 -0.003955360 -0.141067870 -0.153916064 -0.002369816 0.003397694 -0.002750279 -0.147759755 -0.210810224 -0.002745806 -0.001143620 -0.006472591 -0.009493806 0.008688237 -0.001250335 0.000155845 -0.000000825 0.000034725 -0.000177443 -0.002220851 -0.001131099 -0.000305678 0.000284642 -0.000653978 -0.001363672 -0.000491192 -0.000015790 0.000220095 -0.000294556 -0.000380193 -0.000369713 -0.000045851 0.000068774 -0.000198870 -0.000270706 0.000130143 -0.000427983 0.000401195 -0.000352406 -0.000464880 -0.000613660 -0.000357799 0.000567701 -0.000747696 -0.000675923 0.000131844 -0.000051425 -0.000132729 0.000039761 0.001199559 0.000353801 0.000184453 -0.000158559 0.000331849 0.000398677 0.000223457 0.000370409 -0.000311204 0.000316017 0.001410483 0.001388242 0.000262732 -0.000415507 0.000940073 0.001604228 -0.000255006 0.000643025 -0.000452642 0.000450000 0.001058604 0.000718848 -0.000277703 -0.000163967 0.000408227 0.000786967 0.000233536 -0.000517017 -0.000827681 -0.000437464 0.000506256 0.000573746 0.000103496 -0.000641570 -0.000465608 -0.000981791 -0.000650199 -0.000835028 0.001605442 -0.000812836 -0.000672134 -0.000658213 -0.000022379 0.000495230 -0.000638267 0.000470752 0.000164024 -0.000197160 -0.000085671 0.000115060 0.000375330 0.000236995 0.000411132 -0.000233707 0.000349745 0.000400603 0.000751081 0.000246358 -0.000803418 0.000363103 -0.000061141 0.000059736 0.000048868 -0.000058938 0.000154540 0.000274116 0.000217139 0.000291604 -0.000534696 0.000131572 0.002471280 0.001359949 -0.000600268 -0.011704958 0.001856276 0.000929263 -0.000637152 -0.002444527 0.001586784 0.003880153 0.000803795 -0.000234449 -0.001567596 0.006331446 -0.002582240 0.001195432 0.001827591 -0.000426352 -0.003135128 0.000817566 0.001066937 -0.000998405 0.000336944 0.000859664 -0.001508271 -0.002324852 -0.001872609 -0.000773105 0.000069881 -0.001249133 0.000892279 0.000557395 0.000137435 -0.002749217 0.001226121 0.001576771 0.001010742 0.000134459 -0.000943183 0.000892526 0.001009104 0.000395250 0.000039160 0.000153532 0.000359861 -0.021010600 -0.024364318 -0.005821794 0.026482429 -0.048479883 0.010352200 0.015457918 0.009941923 -0.041779163 0.022918009 -0.001529427 -0.000646260 -0.002121437 -0.003068864 0.002819220 0.005569088 0.006574595 0.001137141 -0.005841456 0.015843823 -0.008216051 -0.010316018 -0.006947446 0.022496002 -0.031320737 0.005199339 0.006387767 0.006159838 -0.012826892 0.014201821 0.004308420 0.004485759 0.001259921 -0.007218066 0.012436737 -0.001039607 -0.002035683 -0.000633207 0.005743788 -0.006674916 -0.002107829 -0.003613464 -0.000949663 0.008676368 -0.010539910 0.570485510 -0.015852423 0.151678156 0.003998246 0.155222458 0.229103822 -0.048911451 0.008677187 -0.003237633 0.056115321 0.000023123 0.000015629 -0.000039182 -0.000001950 0.586901063 -0.000668005 -0.000070756 -0.000005930 -0.000042835 0.002733359 -0.000285823 -0.000000174 -0.000018740 -0.000026034 0.008360158 -0.000071295 -0.000025532 0.000017927 0.000007713 -0.185067970 -0.000625300 -0.000058377 0.000034231 0.000010750 -0.125092471 -0.000817916 -0.000150986 0.000075875 0.000080604 0.056019571 -0.000041362 -0.000007521 -0.000024979 -0.000029075 -0.238761263 0.000335640 0.000051180 -0.000000955 0.000010381 0.042261957 0.000479591 0.000012984 -0.000025014 -0.000003636 -0.103610290 0.001041160 0.000103267 -0.000010461 0.000037363 -0.074502667 0.000643369 0.000078688 -0.000033376 -0.000011613 0.074616540 0.000379235 0.000056790 -0.000000039 0.000007408 0.017350669 0.000107906 -0.000070672 0.000179343 0.000041502 -0.084765482 0.000433650 -0.000084772 0.000167180 -0.000001636 0.002644059 -0.001511724 0.000104145 0.000010565 -0.000007785 0.019370982 -0.000577055 -0.000161124 0.000020373 0.000066740 -0.001022999 0.000247933 0.000065905 0.000021087 -0.000014073 0.000568319 0.000367523 0.000022167 -0.000033424 0.000000384 0.008431727 0.000721303 -0.000012097 0.000033666 -0.000028901 -0.003015518 0.000091467 0.000028609 -0.000006345 -0.000018138 0.003442978 0.000536524 -0.000020747 0.000022627 -0.000002933 0.026501701 0.003507637 -0.000462030 0.000542018 0.000155188 0.005829070 0.000768628 0.001448150 -0.000810174 -0.000488513 -0.001032347 -0.003594785 0.000727858 0.000093002 -0.000041256 -0.027986323 0.002742759 0.000500765 0.000057781 -0.000082068 0.001250773 0.000270625 -0.000092351 0.000159527 0.000045148 -0.000692178 -0.001682815 -0.000162263 0.000022632 -0.000252410 -0.000563409 0.002123803 -0.000214105 -0.000013821 -0.000078707 -0.004284732 0.000996967 0.000036095 -0.000062971 0.000046833 0.001507615 0.000813604 0.000079787 -0.000070837 0.000067382 -0.004144399 -0.036941706 -0.012189573 0.008961303 0.005636426 0.000503990 0.036147733 -0.004180941 -0.001447024 -0.000232685 -0.000098894 -0.026871983 0.000961193 -0.000965688 -0.000167697 -0.000597553 -0.000873036 0.003718320 -0.001075056 -0.001840264 -0.000688072 -0.018363554 -0.000621276 0.002709235 0.001541318 -0.001471335 0.022864141 0.000287613 -0.001450048 -0.000956249 -0.000107070 0.016493369 0.000899660 -0.000289342 0.000426034 -0.000027817 -0.010607375 -0.000365246 0.000770099 0.000305209 0.000010467 -0.011154399 -0.000238536 0.000814699 -0.000005164 0.000441357 0.586368567 -0.008694075 0.491579685 -0.124764328 0.059460594 0.195896048 -0.167668040 0.057761716 0.134923290 0.173273518 0.054519596 -0.070228060 -0.065379972 -0.059828196 0.078347601 0.042680237 -0.105741948 -0.015347287 0.007374778 -0.010508846 -0.060041530 0.023599081 -0.016357106 0.006533982 -0.011765598 0.023132012 -0.106164135 0.008368821 -0.003921884 0.004938835 0.077056081 0.019216448 0.009436715 -0.020723410 -0.005754935 -0.278847695 -0.057179607 0.008180586 -0.015508427 -0.004834107 -0.054492797 -0.061646292 -0.004178354 0.008997776 0.001671113 0.000815123 0.020469666 -0.002583349 0.003319244 0.024752889 -0.083448728 -0.011866902 -0.002094118 0.002715697 0.022436350 -0.013508761 -0.211209051 0.001838925 -0.001899618 -0.010794422 0.004224273 0.000762560 -0.000172738 0.000590655 0.000074927 -0.000906181 -0.000075730 -0.000081695 0.000664868 -0.000168622 -0.032725022 -0.008995930 0.000022458 0.000050470 0.001314590 -0.002178386 0.000681277 0.001260810 0.000479568 0.001072820 0.002597792 -0.001846762 0.000155501 0.001018612 -0.000693189 0.021020019 -0.011475153 0.000637427 -0.001303748 -0.007187559 -0.000978823 -0.002124842 0.000421539 -0.000425305 -0.000163324 0.000227378 0.001067599 0.000500333 -0.000168000 -0.000313660 0.009138209 -0.020174533 0.000159874 0.000460475 0.001121185 0.000009244 0.001411965 0.000122278 -0.000060850 -0.000058300 0.000772444 -0.000627366 0.000059002 -0.000044444 -0.000123842 0.001694831 0.001206748 0.000080186 0.000049716 -0.000083939 0.002149873 -0.001694408 -0.000074054 0.000132029 -0.000104748 -0.000164411 0.000004344 -0.000002103 0.000012756 -0.000223754 0.001437061 -0.000312123 0.000078418 0.000022559 0.000280026 -0.000887247 -0.000698971 -0.000089061 -0.000378062 -0.001334865 0.000100384 -0.001667182 0.000031580 0.001494902 0.004516733 -0.001143922 0.001246194 -0.000358282 0.000339998 -0.002880103 -0.000491995 -0.000866170 -0.001696635 -0.000573735 0.001021532 0.000539727 -0.000773318 -0.000872244 -0.002220308 -0.002354975 0.000251949 -0.002856208 -0.000934954 -0.000644593 0.003166149 0.000176250 0.000240617 0.000039045 0.000105671 0.000195586 0.000063194 0.000256497 -0.000029617 -0.000173777 -0.000536475 -0.000051167 -0.000172408 0.000064701 -0.000015798 0.000487151 0.253503839 -0.047225623 0.055442828 0.115568410 -0.026009269 0.116022603 -0.006456201 0.024087987 0.007369098 0.073565540 -0.000481110 -0.001502751 -0.000010051 -0.082722929 0.295295936 -0.003308285 0.015438007 0.003487398 -0.021920121 0.062418808 0.005224755 -0.003218138 -0.030252523 -0.001440982 -0.000025926 -0.001559201 -0.000515703 0.007816441 0.003878620 -0.001331451 0.004858688 -0.001635284 -0.013546126 0.001469847 0.000163109 0.000210412 -0.000428546 0.000083444 0.000571487 0.000413752 -0.000353341 0.000194216 -0.000535823 -0.000472246 0.001356714 -0.000694645 0.000222323 0.000972957 0.000495989 -0.000312236 0.001110564 0.000333520 0.000197517 -0.000235007 0.000117911 0.000123989 -0.000028159 0.000646584 0.000262609 0.000638377 -0.000578966 0.000322567 0.001224379 -0.000185955 -0.000384787 0.001110159 0.000561443 0.003022552 0.000371371 -0.000164289 0.000246963 0.000435555 -0.001311884 -0.001000774 0.000778712 0.000680990 0.000133498 -0.006131362 -0.000868887 0.000714717 0.000117667 -0.000255607 0.000525454 0.000180428 -0.000351544 -0.000198582 0.000295339 -0.000163133 0.000016688 0.000131393 0.000185769 -0.000139524 0.000160930 -0.000348768 -0.000357536 -0.000054606 -0.000066307 -0.001705502 -0.000194479 -0.000158797 -0.000140672 0.000338821 0.000416863 -0.000021303 0.000203102 0.000016097 0.000125583 -0.001359453 -0.000066613 0.000087341 0.000480640 0.000364726 0.001253477 0.000941820 0.000912220 -0.000716479 -0.001015773 0.000444872 -0.001389560 -0.001144251 0.000888953 0.000763285 -0.000419113 0.000328302 0.000324339 -0.000630472 -0.000530382 -0.000323709 -0.000675282 -0.000864403 -0.000280791 0.000053585 -0.000380766 0.000828492 0.000629644 -0.001157094 -0.001107662 0.000459226 -0.001011168 -0.000818503 -0.000103644 -0.000046199 -0.000295096 -0.000201066 -0.000122679 0.000062708 0.000137618 -0.000165359 0.000124165 0.000120471 -0.000198379 -0.000032189 0.000080098 0.000093012 -0.000048893 0.070148744 0.009185987 0.531666493 -0.032398080 0.017721636 0.595350937 -0.008625242 -0.025888175 0.007451250 0.493204022 0.001193538 -0.060908210 0.052496799 0.012988583 0.064162129 -0.000315738 0.055914860 -0.282165150 -0.055494704 -0.061970837 -0.006920049 0.013559025 -0.053118119 -0.060838138 -0.011588084 0.000150848 -0.195960445 -0.109435078 0.054612937 0.006573344 0.000503382 -0.109913053 -0.134678907 0.038928306 -0.023296343 0.001135553 0.054525083 0.038631709 -0.066361583 -0.006257227 0.001018926 -0.161216164 0.027190890 -0.047362157 -0.007414405 -0.001289609 0.030414883 -0.093482787 0.022988122 0.025725233 0.001826732 -0.051091210 0.018368406 -0.113535137 0.005802426 -0.000850057 -0.009694320 0.024823925 0.006758021 -0.003941621 0.000775128 0.003260532 -0.007690439 -0.002209593 0.001409659 -0.000568345 -0.006838396 0.017637253 0.005356284 -0.003521579 0.000177977 0.006271456 0.001345773 -0.028165703 0.000614095 0.000192905 -0.003663486 -0.001569237 0.009550991 -0.000349865 0.000453674 0.006039967 -0.000008851 -0.014910019 -0.000152432 0.000328721 -0.027269326 -0.016558097 -0.004286855 -0.000536762 -0.000616294 0.003333130 0.011297043 -0.005730538 0.004855563 0.000153928 -0.013299758 -0.016666534 0.002872680 -0.000803420 -0.000269289 0.002244470 0.002696714 0.001051099 0.001410556 0.000499593 0.004382380 -0.001011012 0.000470567 -0.002802759 -0.000125408 -0.001424709 0.001874053 -0.001898570 0.001018639 -0.000015146 -0.001011246 -0.003388160 0.000733308 0.000232165 0.000026520 -0.001437072 -0.003258867 0.000855486 -0.000036173 0.000070765 0.000253795 -0.000149254 0.001282840 0.000185861 0.302862867 0.059064678 0.069494471 0.003932716 -0.003026406 0.212666394 -0.014593388 0.008992972 0.120440531 0.138711054 -0.003479174 0.001645343 -0.056739063 -0.044885251 0.078309102 0.004468874 -0.005262200 -0.021662220 0.010241494 -0.015314596 -0.007750196 0.017022416 -0.016952629 0.006143117 -0.010634202 -0.001523617 0.004104868 0.006840252 -0.001914772 0.002692383 0.000828167 -0.002727417 0.000316782 -0.000458761 0.000596702 0.000516287 0.000561835 0.000234096 0.000330321 0.000135736 0.001896412 -0.001684805 0.000473240 -0.000396506 0.000175946 0.000068266 0.000682909 0.001157934 -0.000333014 -0.000400562 0.000051586 0.000005583 -0.000267179 0.000571030 -0.000761997 0.000482905 0.000294611 -0.000701206 -0.000595113 0.000652313 -0.001931679 0.001014542 -0.001010381 0.001031391 -0.001820489 -0.002011065 -0.000038845 0.003336771 -0.002621472 0.001760449 0.001185369 0.000821350 -0.003496983 0.002415203 -0.001189226 -0.001578467 -0.000591815 0.000645539 -0.001788678 0.000093071 0.001609964 0.000091158 0.000440591 0.001349009 0.000031770 -0.001157162 -0.000306839 0.000013048 -0.001281734 0.000406370 0.000424494 -0.000055139 -0.001163860 0.000242233 -0.000512577 0.000151736 0.000077490 -0.000810596 0.000354996 -0.000434844 0.000164541 -0.000237716 -0.000244611 0.000125682 -0.000185146 0.466110755 -0.036289497 0.535194910 -0.019498082 0.013094220 0.569306550 -0.068793398 0.068755099 0.025647550 0.086454236 0.072740063 -0.255416376 -0.079106423 -0.078429773 0.272908337 0.028902350 -0.081447122 -0.077118843 -0.027688770 0.083080432 -0.065697789 -0.006535408 0.065360561 -0.002533367 -0.001982370 -0.006856393 -0.048819153 0.028382846 0.006289233 0.006326122 0.064352447 0.028196319 -0.279141950 0.002007600 0.002361817 -0.133016607 -0.034326935 -0.010914473 0.013288934 0.004184318 -0.051901420 -0.104532044 0.007242969 -0.020041930 -0.016492482 -0.017483066 -0.012498696 -0.091434180 -0.009691093 -0.004983182 0.008683489 -0.026039252 0.016116575 -0.003586540 -0.002293193 -0.008165711 -0.036459389 0.022854444 -0.000732177 -0.000349968 0.007059295 0.023043497 0.011730636 0.001705679 0.000326509 -0.008301101 -0.008654029 -0.021001576 -0.003041951 -0.001663986 -0.011916392 0.003155530 -0.013970788 0.000418268 -0.000568459 0.001540276 0.002335454 -0.000959913 -0.000015179 -0.000320080 0.083655681 0.009171763 0.072573256 -0.026913671 0.010653382 0.050396858 -0.008959803 -0.065527320 -0.030883897 0.302312820 -0.004734541 -0.001369418 -0.003849210 -0.003897972 0.312027010 0.003401093 -0.003912276 -0.005473505 -0.003335229 0.137470070 0.000836907 0.024947610 0.024184757 -0.002513384 0.134695244 0.002063716 -0.002526101 -0.003020202 0.001769327 -0.083569983 0.000663344 -0.001877421 -0.002668843 0.001486779 -0.027898123 -0.001195859 -0.002435194 -0.002879550 0.000731028 -0.003945442 0.000087229 -0.000058497 0.000590947 0.000004743 -0.092873920 -0.000123892 -0.000494652 0.000364613 0.000233343 -0.025540256 0.000286091 -0.000484064 -0.000574715 0.002093303 -0.102707495 0.571522474 -0.241031892 0.625425712 0.002492503 -0.026983468 0.077012048 -0.404075046 0.267729443 -0.005511656 0.475439111 0.242780676 -0.297118205 0.024116547 -0.307610505 0.300093970 -0.029938669 -0.085699517 0.009519985 0.013617413 -0.010959115 -0.055091899 -0.026218585 0.016416241 -0.000730210 0.041315072 -0.021597719 -0.197244585 -0.010686603 0.021635541 -0.026168557 0.103756210 0.017589462 0.061224636 0.103294198 0.007662215 0.225573195</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="132">-0.001325428 0.000018528 0.000066840 0.000072492 0.000131695 0.000196432 0.000260099 0.000326252 0.000359240 0.000577137 0.000699084 0.000849850 0.001103091 0.001284397 0.001422123 0.002068169 0.002127630 0.002531418 0.002731277 0.002979449 0.003102376 0.003398121 0.003492448 0.003711721 0.005072762 0.005577913 0.006932915 0.008793165 0.009795727 0.011531851 0.014530824 0.015602561 0.016241624 0.021118689 0.021743574 0.022442962 0.023333397 0.025732261 0.026391291 0.027511779 0.028015634 0.029732766 0.030999608 0.031573772 0.033034721 0.033793056 0.034935720 0.036264929 0.038447993 0.040187377 0.041174300 0.041948224 0.044366802 0.044692237 0.044907981 0.046629746 0.047686210 0.048474655 0.048690120 0.049399872 0.050231704 0.050862067 0.055738685 0.057883617 0.059146874 0.060817389 0.062275013 0.062290418 0.064594520 0.064917676 0.067198792 0.067272655 0.067627247 0.069060513 0.070907741 0.071749661 0.072782283 0.073241368 0.073422446 0.073626994 0.075161949 0.075952536 0.076449637 0.076923930 0.077002810 0.081033638 0.081365322 0.082065809 0.082200044 0.082244087 0.082822486 0.083568498 0.083769234 0.083898129 0.084399268 0.084617720 0.085112619 0.085163993 0.085466470 0.086681210 0.087279159 0.103705017 0.108225893 0.304911267 0.338430071 0.339651006 0.340695809 0.340939701 0.342543875 0.342556129 0.343167052 0.344069858 0.344501278 0.344853418 0.345689930 0.345807034 0.352201830 0.353144294 0.355989293 0.356366997 0.358637586 0.359193382 0.361083832 0.361916902 0.363571860 0.363940106 0.364613249 0.365892057 0.369389191 0.369415727 0.376151912 0.377936757</array>
            </module>
         </module>
      </module>
   </module>
</module>
